O3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C20H18ClFN2O7 MolecularWeight: 452.817523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(C)CC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(C)CC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClFN2O7/c1-3-30-19(26)12-7-13(9-14(8-12)24(28)29)20(27)31-11-18(25)23(2)10-15-16(21)5-4-6-17(15)22/h4-9H,3,10-11H2,1-2H3