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

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-isopropyl-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 1-(2-methyl-4-nitrophenyl)-5-propan-2-yl-4-triazolecarboxylic acid IUPAC Name: 1-(2-methyl-4-nitrophenyl)-5-propan-2-yltriazole-4-carboxylic acid Traditional Name: 5-isopropyl-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-7(2)12-11(13(18)19)14-15-16(12)10-5-4-9(17(20)21)6-8(10)3/h4-7H,1-3H3,(H,18,19)