ethyl 4-methylidene-6-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-methylidene-6-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(2-hydroxy-5-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(2-hydroxy-5-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(2-hydroxy-5-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=C)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1C(NC(=O)NC1=C)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H15N3O6/c1-3-23-13(19)11-7(2)15-14(20)16-12(11)9-6-8(17(21)22)4-5-10(9)18/h4-6,11-12,18H,2-3H2,1H3,(H2,15,16,20)