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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(2-ethylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-(2-ethylanilino)-5-oxo-pentanoate CAS Name: 5-(2-ethylanilino)-5-oxopentanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate Traditional Name: 5-(2-ethylanilino)-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:

CCC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-3-16-7-4-5-8-18(16)23-21(26)9-6-10-22(27)30-14-20(25)17-12-11-15(2)19(13-17)24(28)29/h4-5,7-8,11-13H,3,6,9-10,14H2,1-2H3,(H,23,26)