(3-ethoxyphenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (3-ethoxyphenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (3-ethoxyphenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (3-ethoxyphenyl) ester IUPAC Name: (3-ethoxyphenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid m-phenetyl ester Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6S/c1-2-21-10-4-3-5-11(8-10)22-23(19,20)12-6-7-13(15)14(9-12)16(17)18/h3-9H,2,15H2,1H3