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

Systemtic Name: [2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenyl] ester Formula: C21H18N4O8S MolecularWeight: 486.45462

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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=C(C=C3)[N+](=O)[O-])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=C(C=C3)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O8S/c1-14-3-9-18(12-19(14)25(28)29)34(30,31)33-20-10-4-15(11-21(20)32-2)13-22-23-16-5-7-17(8-6-16)24(26)27/h3-13,23H,1-2H3/b22-13+