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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(2-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 5-(2-methylanilino)-5-oxo-pentanoate CAS Name: 5-(2-methylanilino)-5-oxopentanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 5-(2-methylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(o-toluidino)valeric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-14-6-3-4-7-17(14)23-19(25)8-5-9-21(27)30-13-20(26)22-16-11-10-15(2)18(12-16)24(28)29/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,22,26)(H,23,25)