ethyl (5R,6S)-4-methylidene-6-(5-nitrofuran-2-yl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (5R,6S)-4-methylidene-6-(5-nitrofuran-2-yl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5R,6S)-4-methylene-6-(5-nitro-2-furyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(5-nitro-2-furanyl)-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,6S)-4-methylidene-6-(5-nitrofuran-2-yl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(5-nitro-2-furyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c1-3-20-11(16)9-6(2)13-12(17)14-10(9)7-4-5-8(21-7)15(18)19/h4-5,9-10H,2-3H2,1H3,(H2,13,14,17)/t9-,10+/m0/s1