[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C16H17N3O4/c1-4-9-17-14(20)10(2)23-16(22)13-11-7-5-6-8-12(11)15(21)19(3)18-13/h4-8,10H,1,9H2,2-3H3,(H,17,20)