ethyl (4S)-4-(4-methoxyphenyl)-6-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-methoxyphenyl)-6-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-methoxyphenyl)-6-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-6-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-methoxyphenyl)-6-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(4-methoxyphenyl)-6-[(5-nitro-2-pyrrolidino-benzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H28N4O8 MolecularWeight: 524.52252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C26H28N4O8/c1-3-37-25(32)22-20(27-26(33)28-23(22)16-6-9-18(36-2)10-7-16)15-38-24(31)19-14-17(30(34)35)8-11-21(19)29-12-4-5-13-29/h6-11,14,23H,3-5,12-13,15H2,1-2H3,(H2,27,28,33)/t23-/m0/s1