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

Systemtic Name: 4-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[3-[(4-nitrobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C23H19N3O6S MolecularWeight: 465.47846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O6S/c1-14(21(27)24-17-9-5-16(6-10-17)23(29)30)33-20-4-2-3-18(13-20)25-22(28)15-7-11-19(12-8-15)26(31)32/h2-14H,1H3,(H,24,27)(H,25,28)(H,29,30)