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

Systemtic Name: (3S,4S)-3-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-3-(4-nitrophenyl)-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-3-(4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-3-(4-nitrophenyl)isochroman-4-carboxylic acid Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO6/c18-15(19)13-11-3-1-2-4-12(11)16(20)23-14(13)9-5-7-10(8-6-9)17(21)22/h1-8,13-14H,(H,18,19)/t13-,14+/m0/s1