[4-[(2,4-dimethylphenyl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N2O5S/c1-15-4-11-21(17(3)12-15)23-14-18-6-8-19(9-7-18)29-30(27,28)20-10-5-16(2)22(13-20)24(25)26/h4-14H,1-3H3