2-(4-carboxyphenyl)-7,8-diazabicyclo[4.2.0]octa-1,3,5,7-tetraene-5-carboxylic acid

Systemtic Name: 2-(4-carboxyphenyl)-7,8-diazabicyclo[4.2.0]octa-1,3,5,7-tetraene-5-carboxylic acid Openeye Name: 2-(4-carboxyphenyl)-7,8-diazabicyclo[4.2.0]octa-1,3,5,7-tetraene-5-carboxylic acid CAS Name: 2-(4-carboxyphenyl)-7,8-diazabicyclo[4.2.0]octa-1,3,5,7-tetraene-5-carboxylic acid IUPAC Name: 2-(4-carboxyphenyl)-7,8-diazabicyclo[4.2.0]octa-1,3,5,7-tetraene-5-carboxylic acid Traditional Name: 2-(4-carboxyphenyl)-7,8-diazabicyclo[4.2.0]octa-1,3,5,7-tetraene-5-carboxylic acid Formula: C14H8N2O4 MolecularWeight: 268.22432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C(=C(C=C2)C(=O)O)N=N3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C3C(=C(C=C2)C(=O)O)N=N3)C(=O)O

InChI

InChI=1S/C14H8N2O4/c17-13(18)8-3-1-7(2-4-8)9-5-6-10(14(19)20)12-11(9)15-16-12/h1-6H,(H,17,18)(H,19,20)