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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C17H20N4O6/c1-2-3-8-18-17(26)19-13(22)10-27-14(23)9-21-16(25)12-7-5-4-6-11(12)15(24)20-21/h4-7H,2-3,8-10H2,1H3,(H,20,24)(H2,18,19,22,26)