ethyl 1-(2-azanylpropanoyl)-1-[(5-nitro-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(2-azanylpropanoyl)-1-[(5-nitro-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: ethyl 1-(2-aminopropanoyl)-1-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-1-oxopropyl)-1-[(5-nitro-2-oxo-1H-pyridin-3-yl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-aminopropanoyl)-1-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-alanyl-1-(2-keto-5-nitro-1H-pyridine-3-carbonyl)pyrrolidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H21N4O7+ MolecularWeight: 381.36054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+]1(C(=O)C2=CC(=CNC2=O)[N+](=O)[O-])C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C1CCC[N+]1(C(=O)C2=CC(=CNC2=O)[N+](=O)[O-])C(=O)C(C)N

InChI

InChI=1S/C16H20N4O7/c1-3-27-16(24)12-5-4-6-20(12,14(22)9(2)17)15(23)11-7-10(19(25)26)8-18-13(11)21/h7-9,12H,3-6,17H2,1-2H3/p+1