NVS
Summary
| Name: | 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one |
| Formula: | C15 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 271.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one |
| OpenEye OEToolkits | 2.0.4 | 3-(4-methoxyphenyl)-7-oxidanyl-4~{H}-1,3-benzoxazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(C(Oc1cc(O)ccc1C2)=O)c3ccc(cc3)OC |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO4/c1-19-13-6-3-11(4-7-13)16-9-10-2-5-12(17)8-14(10)20-15(16)18/h2-8,17H,9H2,1H3 |
| InChIKey | InChI | 1.03 | IBMJKJJMRYHRNQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O |
