ethyl 1-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C17H17N2O5+ MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N2O5/c1-3-24-17(21)14-5-4-8-18(10-14)11-16(20)13-7-6-12(2)15(9-13)19(22)23/h4-10H,3,11H2,1-2H3/q+1