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

Systemtic Name: methyl (2E)-2-(7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)ethanoate Openeye Name: methyl (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetate CAS Name: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetate Traditional Name: (2E)-2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester Formula: C18H15ClN2O2 MolecularWeight: 326.7769

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O2/c1-23-17(22)10-14-11-20-18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)21-14/h2-10,21H,11H2,1H3/b14-10+