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

Systemtic Name: 4-bromanyl-N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]benzamide Openeye Name: 4-bromo-N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]benzamide CAS Name: 4-bromo-N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]benzamide IUPAC Name: 4-bromo-N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]benzamide Traditional Name: 4-bromo-N-[[5-methyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]benzamide Formula: C17H14BrN5O3 MolecularWeight: 416.22876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O3/c1-11-20-16(12-4-8-15(9-5-12)23(25)26)21-22(11)10-19-17(24)13-2-6-14(18)7-3-13/h2-9H,10H2,1H3,(H,19,24)