5-nitro-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]benzonitrile CAS Name: 5-nitro-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]benzonitrile IUPAC Name: 5-nitro-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]benzonitrile Traditional Name: 5-nitro-2-[[4-(1,2,4-triazol-1-yl)benzyl]amino]benzonitrile Formula: C16H12N6O2 MolecularWeight: 320.30548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N3C=NC=N3

InChI

InChI=1S/C16H12N6O2/c17-8-13-7-15(22(23)24)5-6-16(13)19-9-12-1-3-14(4-2-12)21-11-18-10-20-21/h1-7,10-11,19H,9H2