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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(4-methoxyphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-(4-methoxyanilino)-5-oxo-pentanoate CAS Name: 5-(4-methoxyanilino)-5-oxopentanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-(4-methoxyanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(p-anisidino)valeric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-14-6-7-15(12-18(14)23(27)28)19(24)13-30-21(26)5-3-4-20(25)22-16-8-10-17(29-2)11-9-16/h6-12H,3-5,13H2,1-2H3,(H,22,25)