4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(3-ethyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(3-ethyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxylate IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(3-ethyl-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxylate Formula: C21H19N2O6- MolecularWeight: 395.38536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C(=O)[O-])C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1O

Isomeric SMILES

CCC1=CC(=C2C(=C(NN2)C(=O)[O-])C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1O

InChI

InChI=1S/C21H20N2O6/c1-2-11-8-13(15(25)10-14(11)24)19-18(20(21(26)27)23-22-19)12-4-5-16-17(9-12)29-7-3-6-28-16/h4-5,8-10,22-24H,2-3,6-7H2,1H3,(H,26,27)/p-1