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

Systemtic Name: (7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-nitrobenzoate Openeye Name: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester Formula: C22H14ClN3O5 MolecularWeight: 435.81666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14ClN3O5/c23-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)25-21(20(27)24-18)31-22(28)14-6-9-16(10-7-14)26(29)30/h1-12,21H,(H,24,27)