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

Systemtic Name: 2-chloranyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Openeye Name: 2-chloro-4-nitro-N-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]benzamide CAS Name: 2-chloro-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide Traditional Name: 2-chloro-4-nitro-N-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]benzamide Formula: C16H12ClN5O3 MolecularWeight: 357.75118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN5O3/c1-9-2-4-10(5-3-9)14-18-16(21-20-14)19-15(23)12-7-6-11(22(24)25)8-13(12)17/h2-8H,1H3,(H2,18,19,20,21,23)