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

Systemtic Name: 2-methylpropyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: isobutyl 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid isobutyl ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7/c1-8(2)7-27-16(22)13-9(3)18-17(23)19-14(13)10-5-11(20(24)25)15(21)12(6-10)26-4/h5-6,8,13-14,21H,3,7H2,1-2,4H3,(H2,18,19,23)