2-[4-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)phenyl]acetic acid CAS Name: 2-[4-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)phenyl]acetic acid IUPAC Name: 2-[4-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)phenyl]acetic acid Traditional Name: 2-[4-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)phenyl]acetic acid Formula: C16H14N3O3+ MolecularWeight: 296.30066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)[N+]2=CN=C3C=CC(=CC3C2=O)N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)[N+]2=CN=C3C=CC(=CC3C2=O)N

InChI

InChI=1S/C16H13N3O3/c17-11-3-6-14-13(8-11)16(22)19(9-18-14)12-4-1-10(2-5-12)7-15(20)21/h1-6,8-9,13H,7,17H2/p+1