2-[[(1R)-1-(4-methylphenyl)propyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(1R)-1-(4-methylphenyl)propyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[[(1R)-1-(p-tolyl)propyl]amino]benzonitrile CAS Name: 2-[[(1R)-1-(4-methylphenyl)propyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(1R)-1-(4-methylphenyl)propyl]amino]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[[(1R)-1-(p-tolyl)propyl]amino]benzonitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2/c1-3-16(13-6-4-12(2)5-7-13)19-17-9-8-15(20(21)22)10-14(17)11-18/h4-10,16,19H,3H2,1-2H3/t16-/m1/s1