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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H17N3O4/c19-12-14-3-5-15(6-4-14)13-25-18(22)2-1-11-20-16-7-9-17(10-8-16)21(23)24/h3-10,20H,1-2,11,13H2