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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

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