[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-nitroanilino)valeric acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-15(16-6-3-2-4-7-16)22-20(26)14-30-21(27)9-5-8-19(25)23-17-10-12-18(13-11-17)24(28)29/h2-4,6-7,10-13,15H,5,8-9,14H2,1H3,(H,22,26)(H,23,25)