ethyl (4S)-6-[(4-methanoyl-2-methoxy-phenoxy)methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(4-methanoyl-2-methoxy-phenoxy)methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-formyl-2-methoxy-phenoxy)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-formyl-2-methoxyphenoxy)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-formyl-2-methoxyphenoxy)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-formyl-2-methoxy-phenoxy)methyl]-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O8 MolecularWeight: 455.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])COC3=C(C=C(C=C3)C=O)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC(=CC=C2)[N+](=O)[O-])COC3=C(C=C(C=C3)C=O)OC

InChI

InChI=1S/C22H21N3O8/c1-3-32-21(27)19-16(12-33-17-8-7-13(11-26)9-18(17)31-2)23-22(28)24-20(19)14-5-4-6-15(10-14)25(29)30/h4-11,20H,3,12H2,1-2H3,(H2,23,24,28)/t20-/m0/s1