ethyl (4Z)-5-nitro-4-(nitromethylidene)-6-(4-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4Z)-5-nitro-4-(nitromethylidene)-6-(4-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4Z)-5-nitro-4-(nitromethylene)-6-(4-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4Z)-5-nitro-4-(nitromethylidene)-6-(4-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-5-nitro-4-(nitromethylidene)-6-(4-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4Z)-2-keto-5-nitro-4-(nitromethylene)-6-(4-nitrophenyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H13N5O9 MolecularWeight: 395.28112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(NC(=O)NC1=C[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C\1(C(NC(=O)N/C1=C\[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O9/c1-2-28-12(20)14(19(26)27)10(7-17(22)23)15-13(21)16-11(14)8-3-5-9(6-4-8)18(24)25/h3-7,11H,2H2,1H3,(H2,15,16,21)/b10-7-