[4-(2-chloroethyloxycarbonylamino)-2,6-dimethyl-3-nitro-phenyl] methanesulfonate

Systemtic Name: [4-(2-chloroethyloxycarbonylamino)-2,6-dimethyl-3-nitro-phenyl] methanesulfonate Openeye Name: [4-(2-chloroethoxycarbonylamino)-2,6-dimethyl-3-nitro-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-chloroethoxy(oxo)methyl]amino]-2,6-dimethyl-3-nitrophenyl] ester IUPAC Name: [4-(2-chloroethoxycarbonylamino)-2,6-dimethyl-3-nitrophenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2-chloroethoxycarbonylamino)-2,6-dimethyl-3-nitro-phenyl] ester Formula: C12H15ClN2O7S MolecularWeight: 366.7747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OS(=O)(=O)C)C)[N+](=O)[O-])NC(=O)OCCCl

Isomeric SMILES

CC1=CC(=C(C(=C1OS(=O)(=O)C)C)[N+](=O)[O-])NC(=O)OCCCl

InChI

InChI=1S/C12H15ClN2O7S/c1-7-6-9(14-12(16)21-5-4-13)10(15(17)18)8(2)11(7)22-23(3,19)20/h6H,4-5H2,1-3H3,(H,14,16)