methyl (3R,4S)-3-(1-methylpyrrol-3-yl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylate

Systemtic Name: methyl (3R,4S)-3-(1-methylpyrrol-3-yl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylate Openeye Name: methyl (3R,4S)-3-(1-methylpyrrol-3-yl)-1-oxo-isochromane-4-carboxylate CAS Name: (3R,4S)-3-(1-methyl-3-pyrrolyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-(1-methylpyrrol-3-yl)-1-oxo-3,4-dihydroisochromene-4-carboxylate Traditional Name: (3R,4S)-1-keto-3-(1-methylpyrrol-3-yl)isochroman-4-carboxylic acid methyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C2C(C3=CC=CC=C3C(=O)O2)C(=O)OC

Isomeric SMILES

CN1C=CC(=C1)[C@H]2[C@H](C3=CC=CC=C3C(=O)O2)C(=O)OC

InChI

InChI=1S/C16H15NO4/c1-17-8-7-10(9-17)14-13(16(19)20-2)11-5-3-4-6-12(11)15(18)21-14/h3-9,13-14H,1-2H3/t13-,14-/m0/s1