3-nitro-4-(pentylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(pentylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-(pentylamino)benzonitrile CAS Name: 3-nitro-4-(pentylamino)benzonitrile IUPAC Name: 3-nitro-4-(pentylamino)benzonitrile Traditional Name: 4-(amylamino)-3-nitro-benzonitrile Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O2/c1-2-3-4-7-14-11-6-5-10(9-13)8-12(11)15(16)17/h5-6,8,14H,2-4,7H2,1H3