3-nitro-4-(pyridin-4-ylmethylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(pyridin-4-ylmethylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-(4-pyridylmethylamino)benzonitrile CAS Name: 3-nitro-4-(pyridin-4-ylmethylamino)benzonitrile IUPAC Name: 3-nitro-4-(pyridin-4-ylmethylamino)benzonitrile Traditional Name: 3-nitro-4-(4-pyridylmethylamino)benzonitrile Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCC2=CC=NC=C2

InChI

InChI=1S/C13H10N4O2/c14-8-11-1-2-12(13(7-11)17(18)19)16-9-10-3-5-15-6-4-10/h1-7,16H,9H2