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

Systemtic Name: 3-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-4-chloranyl-benzoic acid Openeye Name: 3-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-4-chloro-benzoic acid CAS Name: 3-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-4-chlorobenzoic acid IUPAC Name: 3-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-4-chlorobenzoic acid Traditional Name: 3-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)-4-chloro-benzoic acid Formula: C15H11ClN3O3+ MolecularWeight: 316.71914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=[N+](C(=O)C2C=C1N)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC2=NC=[N+](C(=O)C2C=C1N)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C15H10ClN3O3/c16-11-3-1-8(15(21)22)5-13(11)19-7-18-12-4-2-9(17)6-10(12)14(19)20/h1-7,10H,17H2/p+1