2-[(4-azido-2-nitro-phenyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(4-azido-2-nitro-phenyl)amino]ethanesulfonic acid Openeye Name: 2-(4-azido-2-nitro-anilino)ethanesulfonic acid CAS Name: 2-(4-azido-2-nitroanilino)ethanesulfonic acid IUPAC Name: 2-(4-azido-2-nitroanilino)ethanesulfonic acid Traditional Name: 2-(4-azido-2-nitro-anilino)ethanesulfonic acid Formula: C8H9N5O5S MolecularWeight: 287.25256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCS(=O)(=O)O

InChI

InChI=1S/C8H9N5O5S/c9-12-11-6-1-2-7(8(5-6)13(14)15)10-3-4-19(16,17)18/h1-2,5,10H,3-4H2,(H,16,17,18)