ethyl 6-[2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]-1-oxoethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N5O9S MolecularWeight: 471.44174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O9S/c1-3-30-16(24)11-7-19-17(25)21-13(11)9-31-15(23)8-20-32(28,29)10-4-5-12(18-2)14(6-10)22(26)27/h4-6,18,20H,3,7-9H2,1-2H3,(H2,19,21,25)