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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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