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

Systemtic Name: 3-methylbutyl 4-methylidene-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-9(2)6-7-26-16(22)14-10(3)18-17(23)19-15(14)11-4-5-13(21)12(8-11)20(24)25/h4-5,8-9,14-15,21H,3,6-7H2,1-2H3,(H2,18,19,23)