phenethyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid phenethyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c21-17(19-15-7-4-8-16(13-15)20(23)24)9-10-18(22)25-12-11-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,19,21)