[2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(2-pyridylhydrazono)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-(2-pyridinylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-(2-pyridylhydrazono)methyl]phenyl] ester Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC3=CC=CC=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC3=CC=CC=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S/c1-14-6-8-16(12-17(14)24(25)26)31(27,28)30-18-9-7-15(11-19(18)29-2)13-22-23-20-5-3-4-10-21-20/h3-13H,1-2H3,(H,21,23)/b22-13+