1-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-nitrophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-nitrophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13N3O4/c1-2-3-12-11(13(17)18)8-14-15(12)9-4-6-10(7-5-9)16(19)20/h4-8H,2-3H2,1H3,(H,17,18)