2-chloranyl-5-(3,4-dimethyl-6-oxidanylidene-pyrano[2,3-c]pyrazol-1-yl)benzoic acid

Systemtic Name: 2-chloranyl-5-(3,4-dimethyl-6-oxidanylidene-pyrano[2,3-c]pyrazol-1-yl)benzoic acid Openeye Name: 2-chloro-5-(3,4-dimethyl-6-oxo-pyrano[2,3-c]pyrazol-1-yl)benzoic acid CAS Name: 2-chloro-5-(3,4-dimethyl-6-oxo-1-pyrano[2,3-c]pyrazolyl)benzoic acid IUPAC Name: 2-chloro-5-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1-yl)benzoic acid Traditional Name: 2-chloro-5-(6-keto-3,4-dimethyl-pyrano[2,3-c]pyrazol-1-yl)benzoic acid Formula: C15H11ClN2O4 MolecularWeight: 318.71184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C(=NN2C3=CC(=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C(=NN2C3=CC(=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C15H11ClN2O4/c1-7-5-12(19)22-14-13(7)8(2)17-18(14)9-3-4-11(16)10(6-9)15(20)21/h3-6H,1-2H3,(H,20,21)