2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-5-nitro-benzonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H17N3O3/c1-11-4-7-17(23-3)15(8-11)12(2)19-16-6-5-14(20(21)22)9-13(16)10-18/h4-9,12,19H,1-3H3/t12-/m0/s1