[3-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2-chloro-4-nitro-benzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-chloro-4-nitrobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2-chloro-4-nitro-benzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C18H19ClN2O7S MolecularWeight: 442.87066

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN2O7S/c1-27-9-8-20(12-13-4-3-5-15(10-13)28-29(2,25)26)18(22)16-7-6-14(21(23)24)11-17(16)19/h3-7,10-11H,8-9,12H2,1-2H3