3-[(4Z)-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C19H13ClN2O5 MolecularWeight: 384.76992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2Cl)OCO3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC3=C(C=C2Cl)OCO3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H13ClN2O5/c1-10-14(6-12-7-16-17(8-15(12)20)27-9-26-16)18(23)22(21-10)13-4-2-3-11(5-13)19(24)25/h2-8H,9H2,1H3,(H,24,25)/b14-6-