4-[[[(Z)-(3-iodanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(Z)-(3-iodanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(Z)-(3-iodo-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid CAS Name: 4-[[[(Z)-(3-iodo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(Z)-(3-iodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(Z)-(3-iodo-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid Formula: C15H12INO3 MolecularWeight: 381.16515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC=C2C=CC(=O)C(=C2)I)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN/C=C\2/C=CC(=O)C(=C2)I)C(=O)O

InChI

InChI=1S/C15H12INO3/c16-13-7-11(3-6-14(13)18)9-17-8-10-1-4-12(5-2-10)15(19)20/h1-7,9,17H,8H2,(H,19,20)/b11-9-