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

Systemtic Name: [2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-benzyloxyiminomethyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-benzyloximinomethyl]-2-methoxy-phenyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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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=NOCC3=CC=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/OCC3=CC=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7S/c1-16-8-10-19(13-20(16)24(25)26)32(27,28)31-21-11-9-18(12-22(21)29-2)14-23-30-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3/b23-14+