2-[(4-acetamido-2-nitro-phenyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[(4-acetamido-2-nitro-phenyl)amino]ethyl methanesulfonate Openeye Name: 2-(4-acetamido-2-nitro-anilino)ethyl methanesulfonate CAS Name: methanesulfonic acid 2-(4-acetamido-2-nitroanilino)ethyl ester IUPAC Name: 2-(4-acetamido-2-nitroanilino)ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-(4-acetamido-2-nitro-anilino)ethyl ester Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NCCOS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NCCOS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O6S/c1-8(15)13-9-3-4-10(11(7-9)14(16)17)12-5-6-20-21(2,18)19/h3-4,7,12H,5-6H2,1-2H3,(H,13,15)