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

Systemtic Name: 3-[5-azanyl-3-oxidanylidene-4-(4-oxidanylidene-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-amino-4-keto-3-(4-keto-1H-quinazolin-2-yl)-2-pyrrolin-1-yl]benzoic acid Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O4/c20-16-15(17-21-13-7-2-1-6-12(13)18(25)22-17)14(24)9-23(16)11-5-3-4-10(8-11)19(26)27/h1-8H,9,20H2,(H,26,27)(H,21,22,25)