(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-methoxybenzoate

Systemtic Name: (7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-methoxybenzoate Openeye Name: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester Formula: C23H17ClN2O4 MolecularWeight: 420.84508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C23H17ClN2O4/c1-29-17-10-7-15(8-11-17)23(28)30-22-21(27)25-19-12-9-16(24)13-18(19)20(26-22)14-5-3-2-4-6-14/h2-13,22H,1H3,(H,25,27)