[3-[(E)-2-nitroethenyl]phenyl] 5-(dimethylamino)naphthalene-1-sulfonate

Systemtic Name: [3-[(E)-2-nitroethenyl]phenyl] 5-(dimethylamino)naphthalene-1-sulfonate Openeye Name: [3-[(E)-2-nitrovinyl]phenyl] 5-(dimethylamino)naphthalene-1-sulfonate CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid [3-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [3-[(E)-2-nitroethenyl]phenyl] 5-(dimethylamino)naphthalene-1-sulfonate Traditional Name: 5-(dimethylamino)naphthalene-1-sulfonic acid [3-[(E)-2-nitrovinyl]phenyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=CC(=C3)C=C[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=CC(=C3)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5S/c1-21(2)19-10-4-9-18-17(19)8-5-11-20(18)28(25,26)27-16-7-3-6-15(14-16)12-13-22(23)24/h3-14H,1-2H3/b13-12+