methyl (2S)-1-(5-nitropyridin-1-ium-2-yl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(5-nitropyridin-1-ium-2-yl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(5-nitropyridin-1-ium-2-yl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(5-nitro-2-pyridin-1-iumyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(5-nitropyridin-1-ium-2-yl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(5-nitropyridin-1-ium-2-yl)pyrrolidine-2-carboxylic acid methyl ester Formula: C11H14N3O4+ MolecularWeight: 252.24656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4/c1-18-11(15)9-3-2-6-13(9)10-5-4-8(7-12-10)14(16)17/h4-5,7,9H,2-3,6H2,1H3/p+1/t9-/m0/s1