(3E)-N-butyl-N-methyl-3-[4-(2-methylphenyl)-5-oxidanylidene-1,2,4-triazolidin-3-ylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: (3E)-N-butyl-N-methyl-3-[4-(2-methylphenyl)-5-oxidanylidene-1,2,4-triazolidin-3-ylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: (3E)-N-butyl-6-hydroxy-N-methyl-3-[4-(o-tolyl)-5-oxo-1,2,4-triazolidin-3-ylidene]-4-oxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: (3E)-N-butyl-6-hydroxy-N-methyl-3-[4-(2-methylphenyl)-5-oxo-1,2,4-triazolidin-3-ylidene]-4-oxo-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: (3E)-N-butyl-6-hydroxy-N-methyl-3-[4-(2-methylphenyl)-5-oxo-1,2,4-triazolidin-3-ylidene]-4-oxocyclohexa-1,5-diene-1-carboxamide Traditional Name: (3E)-N-butyl-6-hydroxy-4-keto-3-[5-keto-4-(o-tolyl)-1,2,4-triazolidin-3-ylidene]-N-methyl-cyclohexa-1,5-diene-1-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC(=C2NNC(=O)N2C3=CC=CC=C3C)C(=O)C=C1O

Isomeric SMILES

CCCCN(C)C(=O)C1=C/C(=C/2\NNC(=O)N2C3=CC=CC=C3C)/C(=O)C=C1O

InChI

InChI=1S/C21H24N4O4/c1-4-5-10-24(3)20(28)15-11-14(17(26)12-18(15)27)19-22-23-21(29)25(19)16-9-7-6-8-13(16)2/h6-9,11-12,22,27H,4-5,10H2,1-3H3,(H,23,29)/b19-14-