2-[(4-chloranyl-2-nitro-phenyl)amino]butyl methanesulfonate

Systemtic Name: 2-[(4-chloranyl-2-nitro-phenyl)amino]butyl methanesulfonate Openeye Name: 2-(4-chloro-2-nitro-anilino)butyl methanesulfonate CAS Name: methanesulfonic acid 2-(4-chloro-2-nitroanilino)butyl ester IUPAC Name: 2-(4-chloro-2-nitroanilino)butyl methanesulfonate Traditional Name: methanesulfonic acid 2-(4-chloro-2-nitro-anilino)butyl ester Formula: C11H15ClN2O5S MolecularWeight: 322.7652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COS(=O)(=O)C)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(COS(=O)(=O)C)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H15ClN2O5S/c1-3-9(7-19-20(2,17)18)13-10-5-4-8(12)6-11(10)14(15)16/h4-6,9,13H,3,7H2,1-2H3