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

Systemtic Name: [3-[[2-methoxyethyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methoxyethyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-methyl-3-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-methoxyethyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O7S/c1-14-7-8-16(12-18(14)21(23)24)19(22)20(9-10-27-2)13-15-5-4-6-17(11-15)28-29(3,25)26/h4-8,11-12H,9-10,13H2,1-3H3