1-[isocyano-(4-nitrophenyl)methyl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[isocyano-(4-nitrophenyl)methyl]sulfonyl-4-methyl-benzene Openeye Name: 1-[isocyano-(4-nitrophenyl)methyl]sulfonyl-4-methyl-benzene CAS Name: 1-[isocyano-(4-nitrophenyl)methyl]sulfonyl-4-methylbenzene IUPAC Name: 1-[isocyano-(4-nitrophenyl)methyl]sulfonyl-4-methylbenzene Traditional Name: 1-[isocyano-(4-nitrophenyl)methyl]sulfonyl-4-methyl-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=C(C=C2)[N+](=O)[O-])[N+]#[C-]

Isomeric SMILES

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

InChI

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