(4-azanyl-3-nitro-phenyl) 4-methoxybenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-methoxybenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6S/c1-20-9-2-5-11(6-3-9)22(18,19)21-10-4-7-12(14)13(8-10)15(16)17/h2-8H,14H2,1H3