2-methoxyethyl (6R)-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6R)-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3-allyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-6-(3-nitrophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-4-methyl-6-(3-nitrophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-allyl-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=O)N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C18H21N3O6/c1-4-8-20-12(2)15(17(22)27-10-9-26-3)16(19-18(20)23)13-6-5-7-14(11-13)21(24)25/h4-7,11,16H,1,8-10H2,2-3H3,(H,19,23)/t16-/m1/s1