2-methoxyethyl (5R,6R)-4-methylidene-6-(3-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methoxyethyl (5R,6R)-4-methylidene-6-(3-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (5R,6R)-4-methylene-6-(3-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6R)-4-methylene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5R,6R)-4-methylidene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6R)-2-keto-4-methylene-6-(3-nitrophenyl)hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COCCOC(=O)[C@@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6/c1-9-12(14(19)24-7-6-23-2)13(17-15(20)16-9)10-4-3-5-11(8-10)18(21)22/h3-5,8,12-13H,1,6-7H2,2H3,(H2,16,17,20)/t12-,13-/m0/s1