2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]acetic acid Traditional Name: 2-(N-besyl-3-nitro-anilino)acetic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-5-4-6-12(9-11)16(19)20)23(21,22)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,18)