ethyl (6R)-3,4-dimethyl-6-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3,4-dimethyl-6-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3,4-dimethyl-6-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3,4-dimethyl-6-(3-nitro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-2-keto-3,4-dimethyl-6-(3-nitro-4-pyrrolidino-phenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H24N4O5/c1-4-28-18(24)16-12(2)21(3)19(25)20-17(16)13-7-8-14(15(11-13)23(26)27)22-9-5-6-10-22/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,20,25)/t17-/m1/s1