N-[3-(cyanomethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[3-(cyanomethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[3-(cyanomethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[3-(cyanomethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[3-(cyanomethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(cyanomethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C17H12N6O4 MolecularWeight: 364.31498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N6O4/c18-6-7-27-14-3-1-2-13(9-14)21-17(24)12-4-5-15(16(8-12)23(25)26)22-11-19-10-20-22/h1-5,8-11H,7H2,(H,21,24)