1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-3-nitro-benzene

Systemtic Name: 1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-3-nitro-benzene Openeye Name: 1-[isocyano(p-tolylsulfonyl)methyl]-3-nitro-benzene CAS Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-3-nitrobenzene IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-3-nitrobenzene Traditional Name: 1-[isocyano(tosyl)methyl]-3-nitro-benzene Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O4S/c1-11-6-8-14(9-7-11)22(20,21)15(16-2)12-4-3-5-13(10-12)17(18)19/h3-10,15H,1H3