[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H20ClN3O6/c1-12(2)18(23-19(26)13-7-9-14(21)10-8-13)20(27)30-11-17(25)22-15-5-3-4-6-16(15)24(28)29/h3-10,12,18H,11H2,1-2H3,(H,22,25)(H,23,26)