5-chloranyl-1-(3-nitrophenyl)-3-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(3-nitrophenyl)-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(3-nitrophenyl)-3-propyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(3-nitrophenyl)-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(3-nitrophenyl)-3-propylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(3-nitrophenyl)-3-propyl-pyrazole-4-carboxylic acid Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)Cl)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)Cl)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN3O4/c1-2-4-10-11(13(18)19)12(14)16(15-10)8-5-3-6-9(7-8)17(20)21/h3,5-7H,2,4H2,1H3,(H,18,19)