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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7S/c1-2-14-8-6-13(10-17(14)21(25)26)7-9-18(22)15-4-3-5-16(11-15)29(27,28)20-12-19(23)24/h3-11,20H,2,12H2,1H3,(H,23,24)/b9-7+