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

Systemtic Name: 3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Openeye Name: 3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide CAS Name: 3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide IUPAC Name: 3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Traditional Name: 3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H13N5O3/c22-16(13-2-1-3-15(8-13)21(23)24)19-14-6-4-12(5-7-14)9-20-11-17-10-18-20/h1-8,10-11H,9H2,(H,19,22)