4-[(3-nitrophenyl)methylamino]benzenesulfonic acid

Systemtic Name: 4-[(3-nitrophenyl)methylamino]benzenesulfonic acid Openeye Name: 4-[(3-nitrophenyl)methylamino]benzenesulfonic acid CAS Name: 4-[(3-nitrophenyl)methylamino]benzenesulfonic acid IUPAC Name: 4-[(3-nitrophenyl)methylamino]benzenesulfonic acid Traditional Name: 4-[(3-nitrobenzyl)amino]besylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O5S/c16-15(17)12-3-1-2-10(8-12)9-14-11-4-6-13(7-5-11)21(18,19)20/h1-8,14H,9H2,(H,18,19,20)