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

Systemtic Name: 2-[(4-butylphenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-butylanilino)-5-nitro-benzonitrile CAS Name: 2-(4-butylanilino)-5-nitrobenzonitrile IUPAC Name: 2-(4-butylanilino)-5-nitrobenzonitrile Traditional Name: 2-(4-butylanilino)-5-nitro-benzonitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H17N3O2/c1-2-3-4-13-5-7-15(8-6-13)19-17-10-9-16(20(21)22)11-14(17)12-18/h5-11,19H,2-4H2,1H3