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

Systemtic Name: 2-cyanoethyl (5R,6R)-4-methylidene-6-(3-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-cyanoethyl (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-cyanoethyl ester IUPAC Name: 2-cyanoethyl (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-cyanoethyl ester Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC#N

Isomeric SMILES

C=C1[C@@H]([C@@H](NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC#N

InChI

InChI=1S/C15H14N4O5/c1-9-12(14(20)24-7-3-6-16)13(18-15(21)17-9)10-4-2-5-11(8-10)19(22)23/h2,4-5,8,12-13H,1,3,7H2,(H2,17,18,21)/t12-,13-/m0/s1