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

Systemtic Name: 4-(10-methanoyl-3-methoxy-4,7-dimethyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-1-yl)butanoic acid Openeye Name: 4-(10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodiazepin-1-yl)butanoic acid CAS Name: 4-(10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-1-benzo[b][1,4]benzodiazepinyl)butanoic acid IUPAC Name: 4-(10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodiazepin-1-yl)butanoic acid Traditional Name: 4-(10-formyl-9-hydroxy-6-keto-3-methoxy-4,7-dimethyl-benzo[b][1,4]benzodiazepin-1-yl)butyric acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-10-7-14(25)13(9-24)20-17(10)21(28)23-18-11(2)15(29-3)8-12(19(18)22-20)5-4-6-16(26)27/h7-9,25H,4-6H2,1-3H3,(H,26,27)