methyl 1-[2-[2-(3-nitrophenyl)indolizin-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate chloride

Systemtic Name: methyl 1-[2-[2-(3-nitrophenyl)indolizin-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate chloride Openeye Name: methyl 1-[2-[2-(3-nitrophenyl)indolizin-3-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxylate chloride CAS Name: 1-[2-[2-(3-nitrophenyl)-3-indolizinyl]-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 1-[2-[2-(3-nitrophenyl)indolizin-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxylate chloride Traditional Name: 1-[2-keto-2-[2-(3-nitrophenyl)indolizin-3-yl]ethyl]pyridin-1-ium-3-carboxylic acid methyl ester chloride Formula: C23H18ClN3O5 MolecularWeight: 451.85912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(C=C3N2C=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(C=C3N2C=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C23H18N3O5.ClH/c1-31-23(28)17-7-5-10-24(14-17)15-21(27)22-20(13-18-8-2-3-11-25(18)22)16-6-4-9-19(12-16)26(29)30;/h2-14H,15H2,1H3;1H/q+1;/p-1