4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)pyrrol-3-ylidene]methyl]benzoate

Systemtic Name: 4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)pyrrol-3-ylidene]methyl]benzoate Openeye Name: 4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxo-1-(pyridin-1-ium-3-ylmethyl)pyrrol-3-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolylidene]methyl]benzoate IUPAC Name: 4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxo-1-(pyridin-1-ium-3-ylmethyl)pyrrol-3-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[4-carbomethoxy-2-keto-5-methyl-1-(pyridin-1-ium-3-ylmethyl)-2-pyrrolin-3-ylidene]methyl]benzoate Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)N1CC3=C[NH+]=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C(=O)N1CC3=C[NH+]=CC=C3)C(=O)OC

InChI

InChI=1S/C21H18N2O5/c1-13-18(21(27)28-2)17(10-14-5-7-16(8-6-14)20(25)26)19(24)23(13)12-15-4-3-9-22-11-15/h3-11H,12H2,1-2H3,(H,25,26)/b17-10-