3-[(5E)-5-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]benzoic acid

Systemtic Name: 3-[(5E)-5-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]benzoic acid Openeye Name: 3-[(5E)-5-[[1-(2-ethoxy-2-oxo-ethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazono]-6-oxo-cyclohexa-1,3-dien-1-yl]benzoic acid CAS Name: 3-[(5E)-5-[[1-(2-ethoxy-2-oxoethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienyl]benzoic acid IUPAC Name: 3-[(5E)-5-[[1-(2-ethoxy-2-oxoethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid Traditional Name: 3-[(5E)-5-[[1-(2-ethoxy-2-keto-ethyl)-5-keto-3-methyl-2-pyrazolin-4-yl]hydrazono]-6-keto-cyclohexa-1,3-dien-1-yl]benzoic acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(C(=N1)C)NN=C2C=CC=C(C2=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)CN1C(=O)C(C(=N1)C)N/N=C/2\C=CC=C(C2=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N4O6/c1-3-31-17(26)11-25-20(28)18(12(2)24-25)23-22-16-9-5-8-15(19(16)27)13-6-4-7-14(10-13)21(29)30/h4-10,18,23H,3,11H2,1-2H3,(H,29,30)/b22-16+