3-[2-[(3-aminocarbonyl-4-ethoxycarbonyl-5-methyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3-aminocarbonyl-4-ethoxycarbonyl-5-methyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methyl-2-furyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methyl-2-furanyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3-carbamoyl-4-carbethoxy-5-methyl-2-furyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H18N4O8 MolecularWeight: 442.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

InChI

InChI=1S/C20H18N4O8/c1-3-31-20(30)13-9(2)32-17(14(13)16(21)26)22-12(25)8-24-18(27)11-7-5-4-6-10(11)15(23-24)19(28)29/h4-7H,3,8H2,1-2H3,(H2,21,26)(H,22,25)(H,28,29)