3-[[4-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7S/c1-2-15-5-3-14(13-18(15)22(26)27)4-10-19(23)16-6-8-17(9-7-16)30(28,29)21-12-11-20(24)25/h3-10,13,21H,2,11-12H2,1H3,(H,24,25)/b10-4+