[4-[(4-methylphenyl)iminomethyl]-2-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(4-methylphenyl)iminomethyl]-2-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-nitro-4-(p-tolyliminomethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(4-methylphenyl)iminomethyl]-2-nitrophenyl] ester IUPAC Name: [4-[(4-methylphenyl)iminomethyl]-2-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-nitro-4-(p-tolyliminomethyl)phenyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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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-]

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-]

InChI

InChI=1S/C21H18N2O5S/c1-15-3-8-18(9-4-15)22-14-17-7-12-21(20(13-17)23(24)25)28-29(26,27)19-10-5-16(2)6-11-19/h3-14H,1-2H3