5-(2-nitrophenyl)sulfanyl-2-(propanoylamino)benzoic acid

Systemtic Name: 5-(2-nitrophenyl)sulfanyl-2-(propanoylamino)benzoic acid Openeye Name: 5-(2-nitrophenyl)sulfanyl-2-(propanoylamino)benzoic acid CAS Name: 5-[(2-nitrophenyl)thio]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-(2-nitrophenyl)sulfanyl-2-(propanoylamino)benzoic acid Traditional Name: 5-[(2-nitrophenyl)thio]-2-propionamido-benzoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O5S/c1-2-15(19)17-12-8-7-10(9-11(12)16(20)21)24-14-6-4-3-5-13(14)18(22)23/h3-9H,2H2,1H3,(H,17,19)(H,20,21)