4-[(4-methylphenyl)amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(4-methylphenyl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-(4-methylanilino)-3-nitro-benzonitrile CAS Name: 4-(4-methylanilino)-3-nitrobenzonitrile IUPAC Name: 4-(4-methylanilino)-3-nitrobenzonitrile Traditional Name: 3-nitro-4-(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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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