3-phenylpropyl 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(3-nitroanilino)valeric acid 3-phenylpropyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c23-19(21-17-10-4-11-18(15-17)22(25)26)12-5-13-20(24)27-14-6-9-16-7-2-1-3-8-16/h1-4,7-8,10-11,15H,5-6,9,12-14H2,(H,21,23)