2-[bis(2-hydroxyethyl)amino]-5-nitro-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[bis(2-hydroxyethyl)amino]-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-[bis(2-hydroxyethyl)amino]-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[bis(2-hydroxyethyl)amino]-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-[bis(2-hydroxyethyl)amino]-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C10H13N4O4+ MolecularWeight: 253.23462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O4/c11-6-8-5-9(14(17)18)7-12-10(8)13(1-3-15)2-4-16/h5,7,15-16H,1-4H2/p+1