4-[3,6-bis(azanylidene)-2-(4-carboxyphenyl)cyclohexa-1,4-dien-1-yl]benzoic acid

Systemtic Name: 4-[3,6-bis(azanylidene)-2-(4-carboxyphenyl)cyclohexa-1,4-dien-1-yl]benzoic acid Openeye Name: 4-[2-(4-carboxyphenyl)-3,6-diimino-cyclohexa-1,4-dien-1-yl]benzoic acid CAS Name: 4-[2-(4-carboxyphenyl)-3,6-diimino-1-cyclohexa-1,4-dienyl]benzoic acid IUPAC Name: 4-[2-(4-carboxyphenyl)-3,6-diiminocyclohexa-1,4-dien-1-yl]benzoic acid Traditional Name: 4-[2-(4-carboxyphenyl)-3,6-diimino-cyclohexa-1,4-dien-1-yl]benzoic acid Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=N)C=CC2=N)C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=N)C=CC2=N)C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H14N2O4/c21-15-9-10-16(22)18(12-3-7-14(8-4-12)20(25)26)17(15)11-1-5-13(6-2-11)19(23)24/h1-10,21-22H,(H,23,24)(H,25,26)