5-bromanyl-2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Openeye Name: 5-bromo-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid CAS Name: 5-bromo-2-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Formula: C14H10BrNO3 MolecularWeight: 320.1381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC2=C(C=C(C=C2)Br)C(=O)O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\NC2=C(C=C(C=C2)Br)C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C14H10BrNO3/c15-10-5-6-12(11(7-10)14(18)19)16-8-9-3-1-2-4-13(9)17/h1-8,16H,(H,18,19)/b9-8+