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

Systemtic Name: 4-[[6-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-(hydroxymethyl)-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-(2,6-dimethyl-4-methylol-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile Formula: C21H18N4O4 MolecularWeight: 390.39202

Click to see the large picture

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)CO

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-13-9-16(12-26)10-14(2)20(13)29-19-8-7-18(25(27)28)21(24-19)23-17-5-3-15(11-22)4-6-17/h3-10,26H,12H2,1-2H3,(H,23,24)