(4-azanyl-3-nitro-phenyl) 4-propan-2-ylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-propan-2-ylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5S/c1-10(2)11-3-6-13(7-4-11)23(20,21)22-12-5-8-14(16)15(9-12)17(18)19/h3-10H,16H2,1-2H3