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

Systemtic Name: 2-phenoxyethyl (5S,6R)-4-methylidene-6-(2-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-phenoxyethyl (5S,6R)-4-methylene-6-(2-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-6-(2-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (5S,6R)-4-methylidene-6-(2-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-(2-nitrophenyl)hexahydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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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)OCCOC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6/c1-13-17(19(24)29-12-11-28-14-7-3-2-4-8-14)18(22-20(25)21-13)15-9-5-6-10-16(15)23(26)27/h2-10,17-18H,1,11-12H2,(H2,21,22,25)/t17-,18+/m1/s1