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

Systemtic Name: [4-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-chloro-4-nitro-benzoyl)-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-chloro-4-nitrobenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-chloro-4-nitro-benzoyl)-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O7S/c1-28-11-3-10-21(13-14-4-7-16(8-5-14)29-30(2,26)27)19(23)17-9-6-15(22(24)25)12-18(17)20/h4-9,12H,3,10-11,13H2,1-2H3