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

Systemtic Name: 2-[(4-methylphenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-methylanilino)-5-nitro-benzonitrile CAS Name: 2-(4-methylanilino)-5-nitrobenzonitrile IUPAC Name: 2-(4-methylanilino)-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(p-toluidino)benzonitrile Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2/c1-10-2-4-12(5-3-10)16-14-7-6-13(17(18)19)8-11(14)9-15/h2-8,16H,1H3