3-(10-methanoyl-3-methoxy-4,7-dimethyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-1-yl)propanoic acid

Systemtic Name: 3-(10-methanoyl-3-methoxy-4,7-dimethyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-1-yl)propanoic acid Openeye Name: 3-(10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodiazepin-1-yl)propanoic acid CAS Name: 3-(10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-1-benzo[b][1,4]benzodiazepinyl)propanoic acid IUPAC Name: 3-(10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodiazepin-1-yl)propanoic acid Traditional Name: 3-(10-formyl-9-hydroxy-6-keto-3-methoxy-4,7-dimethyl-benzo[b][1,4]benzodiazepin-1-yl)propionic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)N=C3C(=C(C=C(C3=N2)CCC(=O)O)OC)C)C=O)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)N=C3C(=C(C=C(C3=N2)CCC(=O)O)OC)C)C=O)O

InChI

InChI=1S/C20H18N2O6/c1-9-6-13(24)12(8-23)19-16(9)20(27)22-17-10(2)14(28-3)7-11(18(17)21-19)4-5-15(25)26/h6-8,24H,4-5H2,1-3H3,(H,25,26)