N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-2-nitro-benzamide

Systemtic Name: N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-2-nitro-benzamide Openeye Name: N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-2-nitro-benzamide CAS Name: N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-2-nitrobenzamide IUPAC Name: N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-2-nitrobenzamide Traditional Name: N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-2-nitro-benzamide Formula: C17H14N6O5 MolecularWeight: 382.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O5/c1-11-19-16(12-6-8-13(9-7-12)22(25)26)20-21(11)10-18-17(24)14-4-2-3-5-15(14)23(27)28/h2-9H,10H2,1H3,(H,18,24)