4-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)benzoic acid

Systemtic Name: 4-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)benzoic acid Openeye Name: 4-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)benzoic acid CAS Name: 4-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)benzoic acid IUPAC Name: 4-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)benzoic acid Traditional Name: 4-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)benzoic acid Formula: C15H12N3O3+ MolecularWeight: 282.27408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)[N+]2=CN=C3C=CC(=CC3C2=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)[N+]2=CN=C3C=CC(=CC3C2=O)N

InChI

InChI=1S/C15H11N3O3/c16-10-3-6-13-12(7-10)14(19)18(8-17-13)11-4-1-9(2-5-11)15(20)21/h1-8,12H,16H2/p+1