4-chloranyl-3-(5-cyclopropyl-4-ethoxycarbonyl-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-chloranyl-3-(5-cyclopropyl-4-ethoxycarbonyl-pyrazol-1-yl)benzoic acid Openeye Name: 4-chloro-3-(5-cyclopropyl-4-ethoxycarbonyl-pyrazol-1-yl)benzoic acid CAS Name: 4-chloro-3-(5-cyclopropyl-4-ethoxycarbonyl-1-pyrazolyl)benzoic acid IUPAC Name: 4-chloro-3-(5-cyclopropyl-4-ethoxycarbonylpyrazol-1-yl)benzoic acid Traditional Name: 3-(4-carbethoxy-5-cyclopropyl-pyrazol-1-yl)-4-chloro-benzoic acid Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)C(=O)O)Cl)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)C(=O)O)Cl)C3CC3

InChI

InChI=1S/C16H15ClN2O4/c1-2-23-16(22)11-8-18-19(14(11)9-3-4-9)13-7-10(15(20)21)5-6-12(13)17/h5-9H,2-4H2,1H3,(H,20,21)