[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 5-(3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(3-nitroanilino)valeric acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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