5-cyano-N,6-dimethyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxamide

Systemtic Name: 5-cyano-N,6-dimethyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxamide Openeye Name: 5-cyano-N,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3-carboxamide CAS Name: 5-cyano-N,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3-carboxamide IUPAC Name: 5-cyano-N,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3-carboxamide Traditional Name: 5-cyano-2-keto-N,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-3-carboxamide Formula: C14H13N5O4 MolecularWeight: 315.28412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NC)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NC)C2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H13N5O4/c1-8-11(7-15)12(18(13(20)16-2)14(21)17-8)9-4-3-5-10(6-9)19(22)23/h3-6,12H,1-2H3,(H,16,20)(H,17,21)