[(2S,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2S,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl] 3,5-dinitrobenzoate Openeye Name: [(2S,3R)-2-phenyl-2,3-dihydrobenzofuran-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S,3R)-2-phenyl-2,3-dihydrobenzofuran-3-yl] ester IUPAC Name: [(2S,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2S,3R)-2-phenylcoumaran-3-yl] ester Formula: C21H14N2O7 MolecularWeight: 406.34506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=CC=CC=C3O2)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@@H](C3=CC=CC=C3O2)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O7/c24-21(14-10-15(22(25)26)12-16(11-14)23(27)28)30-20-17-8-4-5-9-18(17)29-19(20)13-6-2-1-3-7-13/h1-12,19-20H/t19-,20+/m0/s1