3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H18N4O5/c1-11-8-16(13(3)25(11)18-9-12(2)30-23-18)17(26)10-24-20(27)15-7-5-4-6-14(15)19(22-24)21(28)29/h4-9H,10H2,1-3H3,(H,28,29)