(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C24H19ClN4O4 MolecularWeight: 462.88506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H19ClN4O4/c25-19-12-6-4-10-17(19)23(31)26-21(16-8-2-1-3-9-16)14-22(30)33-15-29-24(32)18-11-5-7-13-20(18)27-28-29/h1-13,21H,14-15H2,(H,26,31)