[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-nitroanilino)valeric acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-2-15-6-8-16(9-7-15)23-20(26)14-30-21(27)5-3-4-19(25)22-17-10-12-18(13-11-17)24(28)29/h6-13H,2-5,14H2,1H3,(H,22,25)(H,23,26)