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

Systemtic Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-4-nitro-benzamide Formula: C16H12BrN5O3 MolecularWeight: 402.20218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN5O3/c1-9-8-10(6-7-13(9)22(24)25)15(23)19-16-18-14(20-21-16)11-4-2-3-5-12(11)17/h2-8H,1H3,(H2,18,19,20,21,23)