3-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H14N4O5/c1-20-8-4-7-12(20)15(23)18-13(22)9-21-16(24)11-6-3-2-5-10(11)14(19-21)17(25)26/h2-8H,9H2,1H3,(H,25,26)(H,18,22,23)