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

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-13(2)20(24-21(27)16-8-5-14(3)6-9-16)22(28)31-12-19(26)23-17-10-7-15(4)11-18(17)25(29)30/h5-11,13,20H,12H2,1-4H3,(H,23,26)(H,24,27)