2-methyl-3-(2-nitro-5-phenylmethoxy-phenyl)propanenitrile

Systemtic Name: 2-methyl-3-(2-nitro-5-phenylmethoxy-phenyl)propanenitrile Openeye Name: 3-(5-benzyloxy-2-nitro-phenyl)-2-methyl-propanenitrile CAS Name: 2-methyl-3-(2-nitro-5-phenylmethoxyphenyl)propanenitrile IUPAC Name: 2-methyl-3-(2-nitro-5-phenylmethoxyphenyl)propanenitrile Traditional Name: 3-(5-benzoxy-2-nitro-phenyl)-2-methyl-propionitrile Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(CC1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H16N2O3/c1-13(11-18)9-15-10-16(7-8-17(15)19(20)21)22-12-14-5-3-2-4-6-14/h2-8,10,13H,9,12H2,1H3