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

Systemtic Name: 2-propan-2-yloxyethyl (5S,6S)-4-methylidene-6-(3-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-isopropoxyethyl (5S,6S)-4-methylene-6-(3-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6S)-4-methylene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid 2-propan-2-yloxyethyl ester IUPAC Name: 2-propan-2-yloxyethyl (5S,6S)-4-methylidene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5S,6S)-2-keto-4-methylene-6-(3-nitrophenyl)hexahydropyrimidine-5-carboxylic acid 2-isopropoxyethyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-10(2)25-7-8-26-16(21)14-11(3)18-17(22)19-15(14)12-5-4-6-13(9-12)20(23)24/h4-6,9-10,14-15H,3,7-8H2,1-2H3,(H2,18,19,22)/t14-,15-/m1/s1