[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCC(C)NC(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H19N3O4/c1-3-10(2)17-14(20)9-23-15(21)8-13-11-6-4-5-7-12(11)16(22)19-18-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)(H,19,22)