[2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazono]methyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazono]methyl]phenyl] ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O6S/c1-15-8-9-16(2)22(12-15)32(28,29)31-20-11-10-17(13-21(20)30-3)14-23-24-18-6-4-5-7-19(18)25(26)27/h4-14,24H,1-3H3/b23-14+