2-[3-methyl-5-(2-nitrophenyl)-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 2-[3-methyl-5-(2-nitrophenyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-methyl-5-(2-nitrophenyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-methyl-5-(2-nitrophenyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-methyl-5-(2-nitrophenyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-[3-methyl-5-(2-nitrophenyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2C(=O)O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2C(=O)O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4/c1-10-17-18-15(11-6-2-5-9-14(11)20(23)24)19(10)13-8-4-3-7-12(13)16(21)22/h2-9H,1H3,(H,21,22)