ethyl 6-[2-[(2-chloranyl-4-nitro-phenyl)carbonyl-methyl-amino]phenoxy]hexanoate

Systemtic Name: ethyl 6-[2-[(2-chloranyl-4-nitro-phenyl)carbonyl-methyl-amino]phenoxy]hexanoate Openeye Name: ethyl 6-[2-[(2-chloro-4-nitro-benzoyl)-methyl-amino]phenoxy]hexanoate CAS Name: 6-[2-[[(2-chloro-4-nitrophenyl)-oxomethyl]-methylamino]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[(2-chloro-4-nitrobenzoyl)-methylamino]phenoxy]hexanoate Traditional Name: 6-[2-[(2-chloro-4-nitro-benzoyl)-methyl-amino]phenoxy]hexanoic acid ethyl ester Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC=CC=C1N(C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC=CC=C1N(C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H25ClN2O6/c1-3-30-21(26)11-5-4-8-14-31-20-10-7-6-9-19(20)24(2)22(27)17-13-12-16(25(28)29)15-18(17)23/h6-7,9-10,12-13,15H,3-5,8,11,14H2,1-2H3