(4-cyanophenyl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (4-cyanophenyl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (4-cyanophenyl)methyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C22H17N3O4 MolecularWeight: 387.38808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H17N3O4/c23-13-16-6-8-18(9-7-16)15-29-22(26)20-12-19(25(27)28)10-11-21(20)24-14-17-4-2-1-3-5-17/h1-12,24H,14-15H2