ethyl 1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(3-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-nitrophenyl)ethyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C16H15N2O5+ MolecularWeight: 315.3007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N2O5/c1-2-23-16(20)12-6-8-17(9-7-12)11-15(19)13-4-3-5-14(10-13)18(21)22/h3-10H,2,11H2,1H3/q+1