1-[(4-chloranyl-2-nitro-phenyl)amino]propan-2-yl methanesulfonate

Systemtic Name: 1-[(4-chloranyl-2-nitro-phenyl)amino]propan-2-yl methanesulfonate Openeye Name: [2-(4-chloro-2-nitro-anilino)-1-methyl-ethyl] methanesulfonate CAS Name: methanesulfonic acid 1-(4-chloro-2-nitroanilino)propan-2-yl ester IUPAC Name: 1-(4-chloro-2-nitroanilino)propan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [2-(4-chloro-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C10H13ClN2O5S MolecularWeight: 308.73862

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)Cl)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(CNC1=C(C=C(C=C1)Cl)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C10H13ClN2O5S/c1-7(18-19(2,16)17)6-12-9-4-3-8(11)5-10(9)13(14)15/h3-5,7,12H,6H2,1-2H3