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

Systemtic Name: ethyl 5-methyl-3-[1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]carbonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-3-[1-[2-(4-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carbonyl]-1H-pyrazole-4-carboxylate CAS Name: 5-methyl-3-[[1-[2-(4-nitrophenyl)-2-oxoethyl]-4-pyridin-1-iumyl]-oxomethyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium-4-carbonyl]-1H-pyrazole-4-carboxylate Traditional Name: 3-[1-[2-keto-2-(4-nitrophenyl)ethyl]pyridin-1-ium-4-carbonyl]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C21H19N4O6+ MolecularWeight: 423.39876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N4O6/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/h4-11H,3,12H2,1-2H3/p+1