5-[5-azanyl-3-oxidanylidene-4-(4-oxidanylidene-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[5-azanyl-3-oxidanylidene-4-(4-oxidanylidene-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-amino-4-keto-3-(4-keto-1H-quinazolin-2-yl)-2-pyrrolin-1-yl]isophthalic acid Formula: C20H14N4O6 MolecularWeight: 406.34836

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H14N4O6/c21-16-15(17-22-13-4-2-1-3-12(13)18(26)23-17)14(25)8-24(16)11-6-9(19(27)28)5-10(7-11)20(29)30/h1-7H,8,21H2,(H,27,28)(H,29,30)(H,22,23,26)