(3-methylphenyl) 5-methyl-1-(2-methyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: (3-methylphenyl) 5-methyl-1-(2-methyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylate Openeye Name: m-tolyl 5-methyl-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylate CAS Name: 5-methyl-1-(2-methyl-4-nitrophenyl)-4-triazolecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 5-methyl-1-(2-methyl-4-nitrophenyl)triazole-4-carboxylate Traditional Name: 5-methyl-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylic acid m-tolyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2=C(N(N=N2)C3=C(C=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2=C(N(N=N2)C3=C(C=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H16N4O4/c1-11-5-4-6-15(9-11)26-18(23)17-13(3)21(20-19-17)16-8-7-14(22(24)25)10-12(16)2/h4-10H,1-3H3