3-phenylpropyl 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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