ethyl 1-(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-3-(1-hydroxyethyl)-1,2-diaziridin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-3-(1-hydroxyethyl)-1,2-diaziridin-1-ium-1-carboxylate Openeye Name: ethyl 1-(3,3-dimethyl-2-oxo-indolin-5-yl)-3-(1-hydroxyethyl)diaziridin-1-ium-1-carboxylate CAS Name: 1-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-(1-hydroxyethyl)-1-diaziridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-(1-hydroxyethyl)diaziridin-1-ium-1-carboxylate Traditional Name: 3-(1-hydroxyethyl)-1-(2-keto-3,3-dimethyl-indolin-5-yl)diaziridin-1-ium-1-carboxylic acid ethyl ester Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C(N1)C(C)O)C2=CC3=C(C=C2)NC(=O)C3(C)C

Isomeric SMILES

CCOC(=O)[N+]1(C(N1)C(C)O)C2=CC3=C(C=C2)NC(=O)C3(C)C

InChI

InChI=1S/C16H21N3O4/c1-5-23-15(22)19(13(18-19)9(2)20)10-6-7-12-11(8-10)16(3,4)14(21)17-12/h6-9,13,18,20H,5H2,1-4H3/p+1