phenacyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: phenacyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: phenacyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid phenacyl ester IUPAC Name: phenacyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid phenacyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

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