4-(2-hydroxyethyl)-1-(4-methyl-3-nitro-phenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(2-hydroxyethyl)-1-(4-methyl-3-nitro-phenyl)pyrazole-3-carboxylic acid Openeye Name: 4-(2-hydroxyethyl)-1-(4-methyl-3-nitro-phenyl)pyrazole-3-carboxylic acid CAS Name: 4-(2-hydroxyethyl)-1-(4-methyl-3-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(2-hydroxyethyl)-1-(4-methyl-3-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(2-hydroxyethyl)-1-(4-methyl-3-nitro-phenyl)pyrazole-3-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-8-2-3-10(6-11(8)16(20)21)15-7-9(4-5-17)12(14-15)13(18)19/h2-3,6-7,17H,4-5H2,1H3,(H,18,19)