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

Systemtic Name: methyl (2E)-2-(7-chloranyl-4-oxidanylidene-5-phenyl-1H-1,5-benzodiazepin-2-ylidene)ethanoate Openeye Name: methyl (2E)-2-(7-chloro-4-oxo-5-phenyl-1H-1,5-benzodiazepin-2-ylidene)acetate CAS Name: (2E)-2-(7-chloro-4-oxo-5-phenyl-1H-1,5-benzodiazepin-2-ylidene)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(7-chloro-4-oxo-5-phenyl-1H-1,5-benzodiazepin-2-ylidene)acetate Traditional Name: (2E)-2-(7-chloro-4-keto-5-phenyl-1H-1,5-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=C1CC(=O)N(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/1\CC(=O)N(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H15ClN2O3/c1-24-18(23)11-13-10-17(22)21(14-5-3-2-4-6-14)16-9-12(19)7-8-15(16)20-13/h2-9,11,20H,10H2,1H3/b13-11+