[4-(2-chloroethyloxycarbonylamino)-2-methyl-5-nitro-phenyl] methanesulfonate

Systemtic Name: [4-(2-chloroethyloxycarbonylamino)-2-methyl-5-nitro-phenyl] methanesulfonate Openeye Name: [4-(2-chloroethoxycarbonylamino)-2-methyl-5-nitro-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-chloroethoxy(oxo)methyl]amino]-2-methyl-5-nitrophenyl] ester IUPAC Name: [4-(2-chloroethoxycarbonylamino)-2-methyl-5-nitrophenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2-chloroethoxycarbonylamino)-2-methyl-5-nitro-phenyl] ester Formula: C11H13ClN2O7S MolecularWeight: 352.74812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O7S/c1-7-5-8(13-11(15)20-4-3-12)9(14(16)17)6-10(7)21-22(2,18)19/h5-6H,3-4H2,1-2H3,(H,13,15)