N-[4-(cyanomethyl)phenyl]-3-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-[4-(cyanomethyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(benzylamino)-N-[4-(cyanomethyl)phenyl]-3-nitro-benzamide Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c23-13-12-16-6-9-19(10-7-16)25-22(27)18-8-11-20(21(14-18)26(28)29)24-15-17-4-2-1-3-5-17/h1-11,14,24H,12,15H2,(H,25,27)