2-[1-(2-azanylpropanoyl)-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[1-(2-azanylpropanoyl)-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[1-(2-aminopropanoyl)-2,5-dioxo-pyrrolidin-1-ium-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[1-(2-amino-1-oxopropyl)-2,5-dioxo-1-pyrrolidin-1-iumyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[1-(2-aminopropanoyl)-2,5-dioxopyrrolidin-1-ium-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-(1-alanyl-2,5-diketo-pyrrolidin-1-ium-1-yl)-N-(4-nitrophenyl)propionamide Formula: C16H19N4O6+ MolecularWeight: 363.34526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[N+]1(C(=O)CCC1=O)C(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C(=O)[N+]1(C(=O)CCC1=O)C(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H18N4O6/c1-9(17)16(24)20(13(21)7-8-14(20)22)10(2)15(23)18-11-3-5-12(6-4-11)19(25)26/h3-6,9-10H,7-8,17H2,1-2H3/p+1