2-[(3,4-dimethylphenyl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3,4-dimethylphenyl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3,4-dimethylphenyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(3,4-dimethylphenyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(3,4-dimethylphenyl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(3,4-dimethylbenzyl)amino]-5-nitro-benzonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C16H15N3O2/c1-11-3-4-13(7-12(11)2)10-18-16-6-5-15(19(20)21)8-14(16)9-17/h3-8,18H,10H2,1-2H3