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

Systemtic Name: 4-[[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(4-nitrophenyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7S/c22-18(12-5-14-3-8-16(9-4-14)21(25)26)15-6-10-17(11-7-15)29(27,28)20-13-1-2-19(23)24/h3-12,20H,1-2,13H2,(H,23,24)/b12-5+