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

Systemtic Name: 4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Openeye Name: 4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide CAS Name: 4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide IUPAC Name: 4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Traditional Name: 4-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=C1CN2C=NC=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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