cycloheptyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cycloheptyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cycloheptyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid cycloheptyl ester Formula: C20H23BrN2O5 MolecularWeight: 451.31102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC4CCCCCC4

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC4CCCCCC4

InChI

InChI=1S/C20H23BrN2O5/c1-11-17(19(24)28-12-6-4-2-3-5-7-12)18(23-20(25)22-11)13-8-15-16(9-14(13)21)27-10-26-15/h8-9,12,17-18H,1-7,10H2,(H2,22,23,25)