FOI
Summary
| Name: | methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate |
| Synonyms: | (E)-methyl 3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate |
| Formula: | C18 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 337.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate |
| OpenEye OEToolkits | 1.7.0 | methyl 3-[[1-(hydroxyamino)-5H-inden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c2oc1cnccc1c2NC4C=CC3=C(NO)C=CC3=C4 |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1oc2cnccc2c1N[C@H]3C=CC4=C(NO)C=CC4=C3 |
| SMILES | CACTVS | 3.370 | COC(=O)c1oc2cnccc2c1N[CH]3C=CC4=C(NO)C=CC4=C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO |
| InChI | InChI | 1.03 | InChI=1S/C18H15N3O4/c1-24-18(22)17-16(13-6-7-19-9-15(13)25-17)20-11-3-4-12-10(8-11)2-5-14(12)21-23/h2-9,11,20-21,23H,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JUENRCGOCJWDSD-NSHDSACASA-N |
