1-(4-methyl-2-nitro-phenyl)-5-phenyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-methyl-2-nitro-phenyl)-5-phenyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-methyl-2-nitro-phenyl)-5-phenyl-triazole-4-carboxylic acid CAS Name: 1-(4-methyl-2-nitrophenyl)-5-phenyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-methyl-2-nitrophenyl)-5-phenyltriazole-4-carboxylic acid Traditional Name: 1-(4-methyl-2-nitro-phenyl)-5-phenyl-triazole-4-carboxylic acid Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(N=N2)C(=O)O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(N=N2)C(=O)O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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