5-nitro-2-(3-phenylpropylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(3-phenylpropylamino)benzenecarbonitrile Openeye Name: 5-nitro-2-(3-phenylpropylamino)benzonitrile CAS Name: 5-nitro-2-(3-phenylpropylamino)benzonitrile IUPAC Name: 5-nitro-2-(3-phenylpropylamino)benzonitrile Traditional Name: 5-nitro-2-(3-phenylpropylamino)benzonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H15N3O2/c17-12-14-11-15(19(20)21)8-9-16(14)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,18H,4,7,10H2