methyl (3S,4S)-3-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylate

Systemtic Name: methyl (3S,4S)-3-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylate Openeye Name: methyl (3S,4S)-3-(4-nitrophenyl)-1-oxo-isochromane-4-carboxylate CAS Name: (3S,4S)-3-(4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylate Traditional Name: (3S,4S)-1-keto-3-(4-nitrophenyl)isochroman-4-carboxylic acid methyl ester Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(OC(=O)C2=CC=CC=C12)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1[C@H](OC(=O)C2=CC=CC=C12)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO6/c1-23-17(20)14-12-4-2-3-5-13(12)16(19)24-15(14)10-6-8-11(9-7-10)18(21)22/h2-9,14-15H,1H3/t14-,15+/m0/s1