4-[isocyano-(4-methylphenyl)sulfonyl-methyl]-1-methoxy-2-nitro-benzene

Systemtic Name: 4-[isocyano-(4-methylphenyl)sulfonyl-methyl]-1-methoxy-2-nitro-benzene Openeye Name: 4-[isocyano(p-tolylsulfonyl)methyl]-1-methoxy-2-nitro-benzene CAS Name: 4-[isocyano-(4-methylphenyl)sulfonylmethyl]-1-methoxy-2-nitrobenzene IUPAC Name: 4-[isocyano-(4-methylphenyl)sulfonylmethyl]-1-methoxy-2-nitrobenzene Traditional Name: 4-[isocyano(tosyl)methyl]-1-methoxy-2-nitro-benzene Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S/c1-11-4-7-13(8-5-11)24(21,22)16(17-2)12-6-9-15(23-3)14(10-12)18(19)20/h4-10,16H,1,3H3