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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H18N2O7S/c1-13-2-3-14(12-17(13)21(25)26)4-9-18(22)15-5-7-16(8-6-15)29(27,28)20-11-10-19(23)24/h2-9,12,20H,10-11H2,1H3,(H,23,24)/b9-4+