[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H18N4O5/c1-8(2)13(15(23)18-16(17)24)25-12(21)7-11-9-5-3-4-6-10(9)14(22)20-19-11/h3-6,8,13H,7H2,1-2H3,(H,20,22)(H3,17,18,23,24)