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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7S/c22-18(11-6-14-3-1-4-16(13-14)21(25)26)15-7-9-17(10-8-15)29(27,28)20-12-2-5-19(23)24/h1,3-4,6-11,13,20H,2,5,12H2,(H,23,24)/b11-6+