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

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6/c1-13(2)11-17(24-20(27)14-7-9-15(22)10-8-14)21(28)31-12-19(26)23-16-5-3-4-6-18(16)25(29)30/h3-10,13,17H,11-12H2,1-2H3,(H,23,26)(H,24,27)