3-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-methoxycarbonyl-5-methyl-2-furyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-methoxycarbonyl-5-methyl-2-furanyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(4-carbomethoxy-5-methyl-2-furyl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)OC

InChI

InChI=1S/C17H14N2O6/c1-9-13(17(23)24-2)7-10(25-9)8-19-15(20)12-6-4-3-5-11(12)14(18-19)16(21)22/h3-7H,8H2,1-2H3,(H,21,22)