2,3-dimethoxy-6-[(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]benzoic acid

Systemtic Name: 2,3-dimethoxy-6-[(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]benzoic acid Openeye Name: 2,3-dimethoxy-6-[(E)-2-(4-oxo-1H-quinazolin-2-yl)vinyl]benzoic acid CAS Name: 2,3-dimethoxy-6-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]benzoic acid IUPAC Name: 2,3-dimethoxy-6-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]benzoic acid Traditional Name: 6-[(E)-2-(4-keto-1H-quinazolin-2-yl)vinyl]-2,3-dimethoxy-benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC2=NC(=O)C3=CC=CC=C3N2)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2)C(=O)O)OC

InChI

InChI=1S/C19H16N2O5/c1-25-14-9-7-11(16(19(23)24)17(14)26-2)8-10-15-20-13-6-4-3-5-12(13)18(22)21-15/h3-10H,1-2H3,(H,23,24)(H,20,21,22)/b10-8+