4-[[4-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[4-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(4-methyl-3-nitrophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(4-methyl-3-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(4-methyl-3-nitro-phenyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C20H20N2O7S MolecularWeight: 432.447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7S/c1-14-4-5-15(13-18(14)22(26)27)6-11-19(23)16-7-9-17(10-8-16)30(28,29)21-12-2-3-20(24)25/h4-11,13,21H,2-3,12H2,1H3,(H,24,25)/b11-6+