[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C17H20N4O6/c1-10(2)7-18-17(26)19-13(22)9-27-14(23)8-21-16(25)12-6-4-3-5-11(12)15(24)20-21/h3-6,10H,7-9H2,1-2H3,(H,20,24)(H2,18,19,22,26)