5-[[4-azanyl-6-(3-carboxy-4-oxidanyl-phenyl)imino-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[4-azanyl-6-(3-carboxy-4-oxidanyl-phenyl)imino-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[4-amino-6-(3-carboxy-4-hydroxy-phenyl)imino-3-oxo-cyclohexa-1,4-dien-1-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[4-amino-6-(3-carboxy-4-hydroxyphenyl)imino-3-oxo-1-cyclohexa-1,4-dienyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[4-amino-6-(3-carboxy-4-hydroxyphenyl)imino-3-oxocyclohexa-1,4-dien-1-yl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[4-amino-6-(3-carboxy-4-hydroxy-phenyl)imino-3-keto-cyclohexa-1,4-dien-1-yl]amino]-2-hydroxy-benzoic acid Formula: C20H15N3O7 MolecularWeight: 409.349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=CC(=O)C(=CC2=NC3=CC(=C(C=C3)O)C(=O)O)N)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=CC(=O)C(=CC2=NC3=CC(=C(C=C3)O)C(=O)O)N)C(=O)O)O

InChI

InChI=1S/C20H15N3O7/c21-13-7-14(22-9-1-3-16(24)11(5-9)19(27)28)15(8-18(13)26)23-10-2-4-17(25)12(6-10)20(29)30/h1-8,23-25H,21H2,(H,27,28)(H,29,30)