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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3-isopropylisoxazol-5-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[(3-propan-2-yl-5-isoxazolyl)amino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3-isopropylisoxazol-5-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C)C1=NOC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H16N4O5/c1-9(2)12-7-14(26-20-12)18-13(22)8-21-16(23)11-6-4-3-5-10(11)15(19-21)17(24)25/h3-7,9H,8H2,1-2H3,(H,18,22)(H,24,25)