2-azanyl-5-[(2-carboxy-6-oxidanyl-phenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 2-azanyl-5-[(2-carboxy-6-oxidanyl-phenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 2-amino-5-(2-carboxy-6-hydroxy-anilino)-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 2-amino-5-(2-carboxy-6-hydroxyanilino)-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 2-amino-5-(2-carboxy-6-hydroxyanilino)-3,6-dioxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 2-amino-5-(2-carboxy-6-hydroxy-anilino)-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid Formula: C14H10N2O7 MolecularWeight: 318.2384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)NC2=CC(=O)C(=C(C2=O)C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)O)NC2=CC(=O)C(=C(C2=O)C(=O)O)N)C(=O)O

InChI

InChI=1S/C14H10N2O7/c15-10-8(18)4-6(12(19)9(10)14(22)23)16-11-5(13(20)21)2-1-3-7(11)17/h1-4,16-17H,15H2,(H,20,21)(H,22,23)