[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(2,5-dimethylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(2,5-dimethylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-(2,5-dimethylanilino)-5-oxo-pentanoate CAS Name: 5-(2,5-dimethylanilino)-5-oxopentanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-(2,5-dimethylanilino)-5-oxopentanoate Traditional Name: 5-(2,5-dimethylanilino)-5-keto-valeric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6/c1-14-7-8-15(2)18(11-14)23-21(26)5-4-6-22(27)30-13-20(25)17-10-9-16(3)19(12-17)24(28)29/h7-12H,4-6,13H2,1-3H3,(H,23,26)