1-(2-nitrophenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(2-nitrophenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-(3-hydroxypropyl)-1-(2-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 4-(3-hydroxypropyl)-1-(2-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-hydroxypropyl)-1-(2-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(3-hydroxypropyl)-1-(2-nitrophenyl)pyrazole-3-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c17-7-3-4-9-8-15(14-12(9)13(18)19)10-5-1-2-6-11(10)16(20)21/h1-2,5-6,8,17H,3-4,7H2,(H,18,19)