3-butanoyl-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carbonitrile

Systemtic Name: 3-butanoyl-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carbonitrile Openeye Name: 3-butanoyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carbonitrile CAS Name: 6-methyl-4-(3-nitrophenyl)-2-oxo-3-(1-oxobutyl)-1,4-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-butanoyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carbonitrile Traditional Name: 3-butyryl-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carbonitrile Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4/c1-3-5-14(21)19-15(13(9-17)10(2)18-16(19)22)11-6-4-7-12(8-11)20(23)24/h4,6-8,15H,3,5H2,1-2H3,(H,18,22)