methyl (2E)-2-(7-chloranyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)ethanoate

Systemtic Name: methyl (2E)-2-(7-chloranyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)ethanoate Openeye Name: methyl (2E)-2-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetate CAS Name: (2E)-2-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetate Traditional Name: (2E)-2-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)/C=C/1\CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O

InChI

InChI=1S/C18H15ClN2O3/c1-24-17(22)10-14-11-21(23)18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)20-14/h2-10,23H,11H2,1H3/b14-10+