[(3-nitrophenyl)amino]-phenyl-methanesulfonic acid

Systemtic Name: [(3-nitrophenyl)amino]-phenyl-methanesulfonic acid Openeye Name: (3-nitroanilino)-phenyl-methanesulfonic acid CAS Name: (3-nitroanilino)-phenylmethanesulfonic acid IUPAC Name: (3-nitroanilino)-phenylmethanesulfonic acid Traditional Name: (3-nitroanilino)-phenyl-methanesulfonic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

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