2-[(4-chloranyl-3-nitro-phenyl)carbonyl-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)carbonyl-methyl-amino]ethanesulfonic acid Openeye Name: 2-[(4-chloro-3-nitro-benzoyl)-methyl-amino]ethanesulfonic acid CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]-methylamino]ethanesulfonic acid IUPAC Name: 2-[(4-chloro-3-nitrobenzoyl)-methylamino]ethanesulfonic acid Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)-methyl-amino]ethanesulfonic acid Formula: C10H11ClN2O6S MolecularWeight: 322.72214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClN2O6S/c1-12(4-5-20(17,18)19)10(14)7-2-3-8(11)9(6-7)13(15)16/h2-3,6H,4-5H2,1H3,(H,17,18,19)