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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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