3-[2-(2-carboxyphenyl)sulfanylethanoylamino]-5-nitro-benzoic acid

Systemtic Name: 3-[2-(2-carboxyphenyl)sulfanylethanoylamino]-5-nitro-benzoic acid Openeye Name: 3-[[2-(2-carboxyphenyl)sulfanylacetyl]amino]-5-nitro-benzoic acid CAS Name: 3-[[2-[(2-carboxyphenyl)thio]-1-oxoethyl]amino]-5-nitrobenzoic acid IUPAC Name: 3-[[2-(2-carboxyphenyl)sulfanylacetyl]amino]-5-nitrobenzoic acid Traditional Name: 3-[[2-[(2-carboxyphenyl)thio]acetyl]amino]-5-nitro-benzoic acid Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O7S/c19-14(8-26-13-4-2-1-3-12(13)16(22)23)17-10-5-9(15(20)21)6-11(7-10)18(24)25/h1-7H,8H2,(H,17,19)(H,20,21)(H,22,23)