N-(3-methylphenyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-methylphenyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: 4-methylsulfonyl-N-(m-tolyl)-2-nitro-aniline CAS Name: N-(3-methylphenyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3-methylphenyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(m-tolyl)amine Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c1-10-4-3-5-11(8-10)15-13-7-6-12(21(2,19)20)9-14(13)16(17)18/h3-9,15H,1-2H3