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

Systemtic Name: ethyl (2Z)-2-(7-chloranyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)ethanoate Openeye Name: ethyl (2Z)-2-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetate CAS Name: (2Z)-2-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetate Traditional Name: (2Z)-2-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetic acid ethyl ester Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O3/c1-2-25-18(23)11-15-12-22(24)19(13-6-4-3-5-7-13)16-10-14(20)8-9-17(16)21-15/h3-11,24H,2,12H2,1H3/b15-11-