3-oxidanylidenebutan-2-yl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C

InChI

InChI=1S/C16H18N2O4/c1-4-9-18-15(20)13-8-6-5-7-12(13)14(17-18)16(21)22-11(3)10(2)19/h5-8,11H,4,9H2,1-3H3