4-nitro-3-[(phenylmethyl)amino]benzenecarbonitrile

Systemtic Name: 4-nitro-3-[(phenylmethyl)amino]benzenecarbonitrile Openeye Name: 3-(benzylamino)-4-nitro-benzonitrile CAS Name: 4-nitro-3-[(phenylmethyl)amino]benzonitrile IUPAC Name: 3-(benzylamino)-4-nitrobenzonitrile Traditional Name: 3-(benzylamino)-4-nitro-benzonitrile Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2/c15-9-12-6-7-14(17(18)19)13(8-12)16-10-11-4-2-1-3-5-11/h1-8,16H,10H2