(2-methyl-2,3-dihydro-1-benzofuran-3-yl) 3,5-dinitrobenzoate

Systemtic Name: (2-methyl-2,3-dihydro-1-benzofuran-3-yl) 3,5-dinitrobenzoate Openeye Name: (2-methyl-2,3-dihydrobenzofuran-3-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-methyl-2,3-dihydrobenzofuran-3-yl) ester IUPAC Name: (2-methyl-2,3-dihydro-1-benzofuran-3-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-methylcoumaran-3-yl) ester Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2O1)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1C(C2=CC=CC=C2O1)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7/c1-9-15(13-4-2-3-5-14(13)24-9)25-16(19)10-6-11(17(20)21)8-12(7-10)18(22)23/h2-9,15H,1H3