4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxylate Formula: C19H15N2O6- MolecularWeight: 367.3322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C(=O)[O-])C3=CC4=C(C=C3)OCO4)C(=O)C=C1O

Isomeric SMILES

CCC1=CC(=C2C(=C(NN2)C(=O)[O-])C3=CC4=C(C=C3)OCO4)C(=O)C=C1O

InChI

InChI=1S/C19H16N2O6/c1-2-9-5-11(13(23)7-12(9)22)17-16(18(19(24)25)21-20-17)10-3-4-14-15(6-10)27-8-26-14/h3-7,20-22H,2,8H2,1H3,(H,24,25)/p-1