3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C16H14N4O5/c1-8-7-12(19-25-8)17-14(21)9(2)20-15(22)11-6-4-3-5-10(11)13(18-20)16(23)24/h3-7,9H,1-2H3,(H,23,24)(H,17,19,21)