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

Systemtic Name: phenethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C21H19BrN2O5/c1-12-18(20(25)27-8-7-13-5-3-2-4-6-13)19(24-21(26)23-12)14-9-16-17(10-15(14)22)29-11-28-16/h2-6,9-10,18-19H,1,7-8,11H2,(H2,23,24,26)