4-(2-hydroxyethyl)-2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 4-(2-hydroxyethyl)-2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 4-(2-hydroxyethyl)-2-(4-nitrophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 4-(2-hydroxyethyl)-2-(4-nitrophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 4-(2-hydroxyethyl)-2-(4-nitrophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 4-(2-hydroxyethyl)-5-keto-1-(4-nitrophenyl)-3-pyrazoline-3-carboxylic acid Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)CCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)CCO)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6/c16-6-5-9-10(12(18)19)13-14(11(9)17)7-1-3-8(4-2-7)15(20)21/h1-4,13,16H,5-6H2,(H,18,19)