3-nitro-4-(4-phenoxybutylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-phenoxybutylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-(4-phenoxybutylamino)benzonitrile CAS Name: 3-nitro-4-(4-phenoxybutylamino)benzonitrile IUPAC Name: 3-nitro-4-(4-phenoxybutylamino)benzonitrile Traditional Name: 3-nitro-4-(4-phenoxybutylamino)benzonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c18-13-14-8-9-16(17(12-14)20(21)22)19-10-4-5-11-23-15-6-2-1-3-7-15/h1-3,6-9,12,19H,4-5,10-11H2