2-[[(E)-(3-chloranyl-5-iodanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-(3-chloranyl-5-iodanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Openeye Name: 2-[[(E)-(3-chloro-5-iodo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid CAS Name: 2-[[(E)-(3-chloro-5-iodo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid IUPAC Name: 2-[[(E)-(3-chloro-5-iodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Traditional Name: 2-[[(E)-(3-chloro-5-iodo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Formula: C14H9ClINO3 MolecularWeight: 401.58363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC=C2C=C(C=C(C2=O)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClINO3/c15-9-5-8(13(18)11(16)6-9)7-17-12-4-2-1-3-10(12)14(19)20/h1-7,17H,(H,19,20)/b8-7+