3-[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H13ClN4O4 MolecularWeight: 372.76252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=C(N=CC=C1)Cl)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H13ClN4O4/c1-9(15(23)20-12-7-4-8-19-14(12)18)22-16(24)11-6-3-2-5-10(11)13(21-22)17(25)26/h2-9H,1H3,(H,20,23)(H,25,26)