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

Systemtic Name: O3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] O1-methyl 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-methyl ester IUPAC Name: 3-O-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl 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-methyl ester Formula: C19H16ClFN2O7 MolecularWeight: 438.790943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClFN2O7/c1-22(9-14-15(20)4-3-5-16(14)21)17(24)10-30-19(26)12-6-11(18(25)29-2)7-13(8-12)23(27)28/h3-8H,9-10H2,1-2H3