A4A
Summary
| Name: | [1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one |
| Synonyms: | Aristolactam II |
| Formula: | C16 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 263.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3Nc4c2c(c1OCOc1cc23)c5c(c4)cccc5 |
| InChI | InChI | 1.03 | InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18) |
| InChIKey | InChI | 1.03 | KPVDACWQNCRKTG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1Nc2cc3ccccc3c4c5OCOc5cc1c24 |
| SMILES | CACTVS | 3.370 | O=C1Nc2cc3ccccc3c4c5OCOc5cc1c24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5 |
