ethyl (6S)-3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-2-keto-4-methyl-6-(4-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@H]1C2=CC=C(C=C2)[N+](=O)[O-])C3CC3)C

InChI

InChI=1S/C17H19N3O5/c1-3-25-16(21)14-10(2)19(12-8-9-12)17(22)18-15(14)11-4-6-13(7-5-11)20(23)24/h4-7,12,15H,3,8-9H2,1-2H3,(H,18,22)/t15-/m0/s1