[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 2-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 2-[(2-chloro-5-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-butyric acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C22H22ClN3O7 MolecularWeight: 475.87898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O7/c1-12(2)20(25-21(29)17-10-16(26(31)32)8-9-18(17)23)22(30)33-11-19(28)24-15-6-4-14(5-7-15)13(3)27/h4-10,12,20H,11H2,1-3H3,(H,24,28)(H,25,29)