4-[[6-[2,6-dimethyl-4-(2-nitro-1-oxidanyl-ethyl)phenoxy]-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-[2,6-dimethyl-4-(2-nitro-1-oxidanyl-ethyl)phenoxy]-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-(1-hydroxy-2-nitro-ethyl)-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-[4-(1-hydroxy-2-nitroethyl)-2,6-dimethylphenoxy]-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-(1-hydroxy-2-nitroethyl)-2,6-dimethylphenoxy]-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-(1-hydroxy-2-nitro-ethyl)-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile Formula: C22H19N5O6 MolecularWeight: 449.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C)C(C[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C)C(C[N+](=O)[O-])O

InChI

InChI=1S/C22H19N5O6/c1-13-9-16(19(28)12-26(29)30)10-14(2)21(13)33-20-8-7-18(27(31)32)22(25-20)24-17-5-3-15(11-23)4-6-17/h3-10,19,28H,12H2,1-2H3,(H,24,25)