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

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 5-[(2-ethylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 5-(2-ethylanilino)-5-oxo-pentanoate CAS Name: 5-(2-ethylanilino)-5-oxopentanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate Traditional Name: 5-(2-ethylanilino)-5-keto-valeric acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-2-15-6-3-4-7-18(15)22-20(25)8-5-9-21(26)29-14-19(24)16-10-12-17(13-11-16)23(27)28/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,22,25)