butyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: butyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: butyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid butyl ester IUPAC Name: butyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid butyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-4-5-9-25-16(21)14-11(2)19(3)17(22)18-15(14)12-7-6-8-13(10-12)20(23)24/h6-8,10,15H,4-5,9H2,1-3H3,(H,18,22)