heptyl 1,4-bis(oxidanylidene)-3H-phthalazine-2-carboxylate

Systemtic Name: heptyl 1,4-bis(oxidanylidene)-3H-phthalazine-2-carboxylate Openeye Name: heptyl 1,4-dioxo-3H-phthalazine-2-carboxylate CAS Name: 1,4-dioxo-3H-phthalazine-2-carboxylic acid heptyl ester IUPAC Name: heptyl 1,4-dioxo-3H-phthalazine-2-carboxylate Traditional Name: 1,4-diketo-3H-phthalazine-2-carboxylic acid heptyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)N1C(=O)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCCCCCCOC(=O)N1C(=O)C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C16H20N2O4/c1-2-3-4-5-8-11-22-16(21)18-15(20)13-10-7-6-9-12(13)14(19)17-18/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,19)