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

Systemtic Name: 3-[[(E)-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Openeye Name: 3-[[(E)-(3-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid CAS Name: 3-[[(E)-(3-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Traditional Name: 3-[[(E)-(3-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC=C2C=C(C=CC2=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N/C=C/2\C=C(C=CC2=O)O)C(=O)O

InChI

InChI=1S/C14H11NO4/c16-12-4-5-13(17)10(7-12)8-15-11-3-1-2-9(6-11)14(18)19/h1-8,15-16H,(H,18,19)/b10-8+