ethyl 6-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21ClN4O6 MolecularWeight: 448.85694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN4O6/c1-3-30-19(26)17-15(22-20(27)23-18(17)16-5-4-8-31-16)11-24(2)10-12-9-13(25(28)29)6-7-14(12)21/h4-9,18H,3,10-11H2,1-2H3,(H2,22,23,27)