4-methyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfonyl-benzenecarbonitrile

Systemtic Name: 4-methyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfonyl-benzenecarbonitrile Openeye Name: 3-(3,4-dihydroxy-5-nitro-phenyl)sulfonyl-4-methyl-benzonitrile CAS Name: 3-(3,4-dihydroxy-5-nitrophenyl)sulfonyl-4-methylbenzonitrile IUPAC Name: 3-(3,4-dihydroxy-5-nitrophenyl)sulfonyl-4-methylbenzonitrile Traditional Name: 3-(3,4-dihydroxy-5-nitro-phenyl)sulfonyl-4-methyl-benzonitrile Formula: C14H10N2O6S MolecularWeight: 334.304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O6S/c1-8-2-3-9(7-15)4-13(8)23(21,22)10-5-11(16(19)20)14(18)12(17)6-10/h2-6,17-18H,1H3