2-(3-methyl-4-propan-2-yl-phenoxy)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)-5-nitro-benzonitrile CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)-5-nitrobenzonitrile IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)-5-nitrobenzonitrile Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)-5-nitro-benzonitrile Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(C)C

InChI

InChI=1S/C17H16N2O3/c1-11(2)16-6-5-15(8-12(16)3)22-17-7-4-14(19(20)21)9-13(17)10-18/h4-9,11H,1-3H3