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

Systemtic Name: 3-[[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(3-nitrophenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C18H16N2O7S MolecularWeight: 404.39384

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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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7S/c21-17(9-4-13-2-1-3-15(12-13)20(24)25)14-5-7-16(8-6-14)28(26,27)19-11-10-18(22)23/h1-9,12,19H,10-11H2,(H,22,23)/b9-4+