(2-cyanophenyl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (2-cyanophenyl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (2-cyanophenyl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (2-cyanobenzyl) ester Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c19-12-14-6-1-2-7-15(14)13-25-18(22)10-5-11-20-16-8-3-4-9-17(16)21(23)24/h1-4,6-9,20H,5,10-11,13H2