2-methoxy-5-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[2-[(4-nitrophenyl)thio]propanoylamino]methyl]benzoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-11(27-14-6-4-13(5-7-14)20(24)25)17(21)19-10-12-3-8-16(26-2)15(9-12)18(22)23/h3-9,11H,10H2,1-2H3,(H,19,21)(H,22,23)