4-[2-[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-[(3-nitrobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H17N3O6S/c26-20(23-16-9-7-14(8-10-16)22(28)29)13-32-19-6-2-4-17(12-19)24-21(27)15-3-1-5-18(11-15)25(30)31/h1-12H,13H2,(H,23,26)(H,24,27)(H,28,29)