N-(4-cyanophenyl)-4-nitro-N-(1,2,4-triazol-4-yl)benzamide

Systemtic Name: N-(4-cyanophenyl)-4-nitro-N-(1,2,4-triazol-4-yl)benzamide Openeye Name: N-(4-cyanophenyl)-4-nitro-N-(1,2,4-triazol-4-yl)benzamide CAS Name: N-(4-cyanophenyl)-4-nitro-N-(1,2,4-triazol-4-yl)benzamide IUPAC Name: N-(4-cyanophenyl)-4-nitro-N-(1,2,4-triazol-4-yl)benzamide Traditional Name: N-(4-cyanophenyl)-4-nitro-N-(1,2,4-triazol-4-yl)benzamide Formula: C16H10N6O3 MolecularWeight: 334.289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3

InChI

InChI=1S/C16H10N6O3/c17-9-12-1-5-14(6-2-12)21(20-10-18-19-11-20)16(23)13-3-7-15(8-4-13)22(24)25/h1-8,10-11H