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

Systemtic Name: (4-methylphenyl)methyl 4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: p-tolylmethyl 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 (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 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 (4-methylbenzyl) ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2C(NC(=O)NC2=C)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2C(NC(=O)NC2=C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrN2O3/c1-12-6-8-14(9-7-12)11-26-19(24)17-13(2)22-20(25)23-18(17)15-4-3-5-16(21)10-15/h3-10,17-18H,2,11H2,1H3,(H2,22,23,25)