5-nitro-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

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