ethyl (4R)-4-methyl-6-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-methyl-6-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(2-allyl-4-nitro-phenoxy)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-methyl-6-[(4-nitro-2-prop-2-enylphenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-methyl-6-[(4-nitro-2-prop-2-enylphenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[(2-allyl-4-nitro-phenoxy)methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C18H21N3O6/c1-4-6-12-9-13(21(24)25)7-8-15(12)27-10-14-16(17(22)26-5-2)11(3)19-18(23)20-14/h4,7-9,11H,1,5-6,10H2,2-3H3,(H2,19,20,23)/t11-/m1/s1