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

Systemtic Name: (4-azanyl-3-nitro-phenyl) 3-methylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-9-3-2-4-11(7-9)21(18,19)20-10-5-6-12(14)13(8-10)15(16)17/h2-8H,14H2,1H3