4-[[(3E)-4-ethyl-6-oxidanylidene-3-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-diazinan-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[(3E)-4-ethyl-6-oxidanylidene-3-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-diazinan-1-yl]methyl]benzoic acid Openeye Name: 4-[[(3E)-4-ethyl-3-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-6-oxo-hexahydropyridazin-1-yl]methyl]benzoic acid CAS Name: 4-[[(3E)-4-ethyl-3-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-6-oxo-1-diazinanyl]methyl]benzoic acid IUPAC Name: 4-[[(3E)-4-ethyl-3-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-6-oxodiazinan-1-yl]methyl]benzoic acid Traditional Name: 4-[[(3E)-4-ethyl-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-6-keto-hexahydropyridazin-1-yl]methyl]benzoic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)N(NC1=C2C=CC(=O)C(=C2)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC\1CC(=O)N(N/C1=C/2\C=CC(=O)C(=C2)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N2O5/c1-2-13-10-18(25)22(11-12-3-5-14(6-4-12)20(26)27)21-19(13)15-7-8-16(23)17(24)9-15/h3-9,13,21,24H,2,10-11H2,1H3,(H,26,27)/b19-15+