[4-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-nitrobenzoate

Systemtic Name: [4-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-nitrobenzoate Openeye Name: [4-[(Z)-(p-tolylsulfonylhydrazono)methyl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[(Z)-(tosylhydrazono)methyl]phenyl] ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6S/c1-15-6-12-18(13-7-15)31(28,29)23-22-14-16-8-10-17(11-9-16)30-21(25)19-4-2-3-5-20(19)24(26)27/h2-14,23H,1H3/b22-14-