[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H17N3O6 MolecularWeight: 395.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H17N3O6/c1-11(19(25)21-12-6-7-16-17(8-12)28-10-27-16)29-18(24)9-15-13-4-2-3-5-14(13)20(26)23-22-15/h2-8,11H,9-10H2,1H3,(H,21,25)(H,23,26)