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

Systemtic Name: (4-chlorophenyl) 5-methyl-1-(2-methyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylate Openeye Name: (4-chlorophenyl) 5-methyl-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylate CAS Name: 5-methyl-1-(2-methyl-4-nitrophenyl)-4-triazolecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 5-methyl-1-(2-methyl-4-nitrophenyl)triazole-4-carboxylate Traditional Name: 5-methyl-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylic acid (4-chlorophenyl) ester Formula: C17H13ClN4O4 MolecularWeight: 372.76252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=C(N=N2)C(=O)OC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=C(N=N2)C(=O)OC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C17H13ClN4O4/c1-10-9-13(22(24)25)5-8-15(10)21-11(2)16(19-20-21)17(23)26-14-6-3-12(18)4-7-14/h3-9H,1-2H3