2-[1-(4-methylphenyl)ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[1-(4-methylphenyl)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[1-(p-tolyl)ethylamino]benzonitrile CAS Name: 2-[1-(4-methylphenyl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[1-(4-methylphenyl)ethylamino]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[1-(p-tolyl)ethylamino]benzonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-11-3-5-13(6-4-11)12(2)18-16-8-7-15(19(20)21)9-14(16)10-17/h3-9,12,18H,1-2H3