4-[2-(2-methylphenyl)ethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(2-methylphenyl)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 3-nitro-4-[2-(o-tolyl)ethylamino]benzonitrile CAS Name: 4-[2-(2-methylphenyl)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(2-methylphenyl)ethylamino]-3-nitrobenzonitrile Traditional Name: 3-nitro-4-[2-(o-tolyl)ethylamino]benzonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O2/c1-12-4-2-3-5-14(12)8-9-18-15-7-6-13(11-17)10-16(15)19(20)21/h2-7,10,18H,8-9H2,1H3