[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-nitroanilino)valeric acid [2-(2,3-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)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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