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

Systemtic Name: 2-methylpropyl 4-methylidene-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-8(2)7-25-15(21)13-9(3)17-16(22)18-14(13)10-4-5-12(20)11(6-10)19(23)24/h4-6,8,13-14,20H,3,7H2,1-2H3,(H2,17,18,22)