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

Systemtic Name: ethyl (5E)-4-(5-ethoxycarbonylfuran-2-yl)-5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Openeye Name: ethyl (5E)-4-(5-ethoxycarbonyl-2-furyl)-5-(3-ethyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate CAS Name: (5E)-4-(5-ethoxycarbonyl-2-furanyl)-5-(3-ethyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-4-(5-ethoxycarbonylfuran-2-yl)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Traditional Name: (5E)-4-(5-carbethoxy-2-furyl)-5-(3-ethyl-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C(=O)OCC)C3=CC=C(O3)C(=O)OCC)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C\2/C(=C(NN2)C(=O)OCC)C3=CC=C(O3)C(=O)OCC)/C(=O)C=C1O

InChI

InChI=1S/C21H22N2O7/c1-4-11-9-12(14(25)10-13(11)24)18-17(19(23-22-18)21(27)29-6-3)15-7-8-16(30-15)20(26)28-5-2/h7-10,22-24H,4-6H2,1-3H3/b18-12+