2-[(3-aminocarbonyl-4-oxidanylidene-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(3-aminocarbonyl-4-oxidanylidene-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid Openeye Name: 2-[(3-carbamoyl-4-oxo-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid CAS Name: 2-[(3-carbamoyl-4-oxo-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid IUPAC Name: 2-[(3-carbamoyl-4-oxo-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid Traditional Name: 2-[(3-carbamoyl-4-keto-4aH-phthalazin-3-ium-1-yl)methyl]benzoic acid Formula: C17H14N3O4+ MolecularWeight: 324.31076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C3C=CC=CC3C(=O)[N+](=N2)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C3C=CC=CC3C(=O)[N+](=N2)C(=O)N)C(=O)O

InChI

InChI=1S/C17H13N3O4/c18-17(24)20-15(21)13-8-4-3-7-12(13)14(19-20)9-10-5-1-2-6-11(10)16(22)23/h1-8,13H,9H2,(H2-,18,22,23,24)/p+1