(3R,4R)-7-nitro-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3R,4R)-7-nitro-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3R,4R)-7-nitro-1-oxo-3-phenyl-isochromane-4-carboxylic acid CAS Name: (3R,4R)-7-nitro-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3R,4R)-7-nitro-1-oxo-3-phenyl-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3R,4R)-1-keto-7-nitro-3-phenyl-isochroman-4-carboxylic acid Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@@H](C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)C(=O)O

InChI

InChI=1S/C16H11NO6/c18-15(19)13-11-7-6-10(17(21)22)8-12(11)16(20)23-14(13)9-4-2-1-3-5-9/h1-8,13-14H,(H,18,19)/t13-,14+/m1/s1