2-(furan-2-ylmethylamino)-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(furan-2-ylmethylamino)-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-(2-furylmethylamino)-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-(2-furanylmethylamino)-4,6-dimethyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(furan-2-ylmethylamino)-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-(2-furfurylamino)-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C13H13N4O3+ MolecularWeight: 273.26732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC=CO2)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC=CO2)C#N

InChI

InChI=1S/C13H12N4O3/c1-8-11(6-14)13(15-7-10-4-3-5-20-10)16-9(2)12(8)17(18)19/h3-5H,7H2,1-2H3,(H,15,16)/p+1