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

Systemtic Name: cyclopentyl 4-methylidene-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclopentyl 4-(4-hydroxy-3-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(4-hydroxy-3-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid cyclopentyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OC3CCCC3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OC3CCCC3

InChI

InChI=1S/C17H19N3O6/c1-9-14(16(22)26-11-4-2-3-5-11)15(19-17(23)18-9)10-6-7-13(21)12(8-10)20(24)25/h6-8,11,14-15,21H,1-5H2,(H2,18,19,23)