[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

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