4-oxidanylidene-3-(2-oxidanylideneazepan-3-yl)phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(2-oxidanylideneazepan-3-yl)phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-(2-oxoazepan-3-yl)phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-(2-oxo-3-azepanyl)-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-(2-oxoazepan-3-yl)phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-(2-ketoazepan-3-yl)phthalazine-1-carboxylic acid Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C15H15N3O4/c19-13-11(7-3-4-8-16-13)18-14(20)10-6-2-1-5-9(10)12(17-18)15(21)22/h1-2,5-6,11H,3-4,7-8H2,(H,16,19)(H,21,22)