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

Systemtic Name: 2-phenoxyethyl (5S,6R)-4-methylidene-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-phenoxyethyl (4R,5S)-4-(4-hydroxy-3-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-hydroxy-3-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R,5S)-4-(4-hydroxy-3-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c1-12-17(19(25)30-10-9-29-14-5-3-2-4-6-14)18(22-20(26)21-12)13-7-8-16(24)15(11-13)23(27)28/h2-8,11,17-18,24H,1,9-10H2,(H2,21,22,26)/t17-,18+/m1/s1