[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H17N3O5/c1-11-8-14(13(3)21(11)17-9-12(2)26-19-17)16(22)10-25-18(23)15-6-4-5-7-20(15)24/h4-9H,10H2,1-3H3