5-chloranyl-1-(3-nitrophenyl)-3-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(3-nitrophenyl)-3-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-isopropyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(3-nitrophenyl)-3-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(3-nitrophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-3-isopropyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C(=O)O)Cl)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN(C(=C1C(=O)O)Cl)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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