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

Systemtic Name: methyl (5R,6S)-4-methylidene-6-(5-nitro-2-propoxy-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (5R,6S)-4-methylene-6-(5-nitro-2-propoxy-phenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(5-nitro-2-propoxyphenyl)-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5R,6S)-4-methylidene-6-(5-nitro-2-propoxyphenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(5-nitro-2-propoxy-phenyl)hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(C(=C)NC(=O)N2)C(=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC

InChI

InChI=1S/C16H19N3O6/c1-4-7-25-12-6-5-10(19(22)23)8-11(12)14-13(15(20)24-3)9(2)17-16(21)18-14/h5-6,8,13-14H,2,4,7H2,1,3H3,(H2,17,18,21)/t13-,14+/m0/s1