ethyl 4-(bromomethyl)-3-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(bromomethyl)-3-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(bromomethyl)-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(bromomethyl)-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(bromomethyl)-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(bromomethyl)-2-keto-3-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H16BrN3O5 MolecularWeight: 398.20864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)CBr

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)CBr

InChI

InChI=1S/C15H16BrN3O5/c1-3-24-14(20)12-11(8-16)18(2)15(21)17-13(12)9-5-4-6-10(7-9)19(22)23/h4-7,13H,3,8H2,1-2H3,(H,17,21)