methyl 2-[(4-chloranyl-3-nitro-phenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)-methylsulfonyl-amino]ethanoate Openeye Name: methyl 2-(4-chloro-N-methylsulfonyl-3-nitro-anilino)acetate CAS Name: 2-(4-chloro-N-methylsulfonyl-3-nitroanilino)acetic acid methyl ester IUPAC Name: methyl 2-(4-chloro-N-methylsulfonyl-3-nitroanilino)acetate Traditional Name: 2-(4-chloro-N-mesyl-3-nitro-anilino)acetic acid methyl ester Formula: C10H11ClN2O6S MolecularWeight: 322.72214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC(=O)CN(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C10H11ClN2O6S/c1-19-10(14)6-12(20(2,17)18)7-3-4-8(11)9(5-7)13(15)16/h3-5H,6H2,1-2H3