[2-bromanyl-6-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-6-methoxy-4-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-6-methoxy-4-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenyl] ester Formula: C21H18BrN3O6S MolecularWeight: 520.35312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=NNC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)/C=N/NC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18BrN3O6S/c1-14-3-9-18(10-4-14)32(28,29)31-21-19(22)11-15(12-20(21)30-2)13-23-24-16-5-7-17(8-6-16)25(26)27/h3-13,24H,1-2H3/b23-13+