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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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