cyclopentyl 4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cyclopentyl 4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclopentyl 4-(3-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(3-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(3-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid cyclopentyl ester Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OC3CCCC3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OC3CCCC3

InChI

InChI=1S/C17H19BrN2O3/c1-10-14(16(21)23-13-7-2-3-8-13)15(20-17(22)19-10)11-5-4-6-12(18)9-11/h4-6,9,13-15H,1-3,7-8H2,(H2,19,20,22)