prop-2-ynyl (3R)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-3-pyrrolidin-1-ium-1-yl-butanoate

Systemtic Name: prop-2-ynyl (3R)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-3-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: prop-2-ynyl (3R)-4-(2-nitroanilino)-4-oxo-3-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (3R)-4-(2-nitroanilino)-4-oxo-3-(1-pyrrolidin-1-iumyl)butanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (3R)-4-(2-nitroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (3R)-4-keto-4-(2-nitroanilino)-3-pyrrolidin-1-ium-1-yl-butyric acid propargyl ester Formula: C17H20N3O5+ MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

C#CCOC(=O)C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C17H19N3O5/c1-2-11-25-16(21)12-15(19-9-5-6-10-19)17(22)18-13-7-3-4-8-14(13)20(23)24/h1,3-4,7-8,15H,5-6,9-12H2,(H,18,22)/p+1/t15-/m1/s1