(3S,4S)-6,7-dimethoxy-3-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-6,7-dimethoxy-3-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-6,7-dimethoxy-3-(4-nitrophenyl)-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-6,7-dimethoxy-3-(4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-6,7-dimethoxy-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-6,7-dimethoxy-3-(4-nitrophenyl)isochroman-4-carboxylic acid Formula: C18H15NO8 MolecularWeight: 373.3136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(OC2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@@H]([C@H](OC2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C18H15NO8/c1-25-13-7-11-12(8-14(13)26-2)18(22)27-16(15(11)17(20)21)9-3-5-10(6-4-9)19(23)24/h3-8,15-16H,1-2H3,(H,20,21)/t15-,16+/m0/s1