4-[[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(E)-3-(4-nitrophenyl)acryloyl]phenyl]sulfonylamino]benzoic acid Formula: C22H16N2O7S MolecularWeight: 452.43664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O7S/c25-21(14-3-15-1-10-19(11-2-15)24(28)29)16-6-12-20(13-7-16)32(30,31)23-18-8-4-17(5-9-18)22(26)27/h1-14,23H,(H,26,27)/b14-3+