3,5-dinitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]benzamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]benzamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3,5-dinitrobenzamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3,5-dinitro-benzamide Formula: C16H12N6O5 MolecularWeight: 368.30368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O5/c23-15(12-6-13(21(24)25)8-14(7-12)22(26)27)18-16-17-10-20(19-16)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19,23)