ethyl 3-methyl-5-[1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]carbonyl-pyrazolidine-4-carboxylate bromide

Systemtic Name: ethyl 3-methyl-5-[1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]carbonyl-pyrazolidine-4-carboxylate bromide Openeye Name: ethyl 3-methyl-5-[1-[2-(4-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carbonyl]pyrazolidine-4-carboxylate bromide CAS Name: 3-methyl-5-[[1-[2-(4-nitrophenyl)-2-oxoethyl]-4-pyridin-1-iumyl]-oxomethyl]-4-pyrazolidinecarboxylic acid ethyl ester bromide IUPAC Name: ethyl 3-methyl-5-[1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium-4-carbonyl]pyrazolidine-4-carboxylate bromide Traditional Name: 3-[1-[2-keto-2-(4-nitrophenyl)ethyl]pyridin-1-ium-4-carbonyl]-5-methyl-pyrazolidine-4-carboxylic acid ethyl ester bromide Formula: C21H23BrN4O6 MolecularWeight: 507.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NNC1C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C.[Br-]

Isomeric SMILES

CCOC(=O)C1C(NNC1C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C.[Br-]

InChI

InChI=1S/C21H22N4O6.BrH/c1-3-31-21(28)18-13(2)22-23-19(18)20(27)15-8-10-24(11-9-15)12-17(26)14-4-6-16(7-5-14)25(29)30;/h4-11,13,18-19,27H,3,12H2,1-2H3;1H