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

Systemtic Name: (7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2-acetamidoethanoate Openeye Name: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2-acetamidoacetate CAS Name: 2-acetamidoacetic 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) 2-acetamidoacetate Traditional Name: 2-acetamidoacetic acid (7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C19H16ClN3O4/c1-11(24)21-10-16(25)27-19-18(26)22-15-8-7-13(20)9-14(15)17(23-19)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H,21,24)(H,22,26)