4-[(3Z,5E)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid

Systemtic Name: 4-[(3Z,5E)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid Openeye Name: 4-[(3Z,5E)-3-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid CAS Name: 4-[(3Z,5E)-3-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,2,4-triazolidin-1-yl]benzoic acid IUPAC Name: 4-[(3Z,5E)-3-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid Traditional Name: 4-[(3Z,5E)-3-(5-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NC(=C3C=CC=C(C3=O)O)NN2C4=CC=C(C=C4)C(=O)O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\2/N/C(=C/3\C=CC=C(C3=O)O)/NN2C4=CC=C(C=C4)C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C21H15N3O5/c25-16-6-2-1-4-14(16)20-22-19(15-5-3-7-17(26)18(15)27)23-24(20)13-10-8-12(9-11-13)21(28)29/h1-11,22-23,26H,(H,28,29)/b19-15-,20-14+