(phenylmethyl) 2-nitro-5-(oxolan-3-yloxy)-4-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 2-nitro-5-(oxolan-3-yloxy)-4-phenylmethoxy-benzoate Openeye Name: benzyl 4-benzyloxy-2-nitro-5-tetrahydrofuran-3-yloxy-benzoate CAS Name: 2-nitro-5-(3-oxolanyloxy)-4-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-nitro-5-(oxolan-3-yloxy)-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-nitro-5-tetrahydrofuran-3-yloxy-benzoic acid benzyl ester Formula: C25H23NO7 MolecularWeight: 449.45262

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=C(C=C(C(=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

C1COCC1OC2=C(C=C(C(=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO7/c27-25(32-16-19-9-5-2-6-10-19)21-13-24(33-20-11-12-30-17-20)23(14-22(21)26(28)29)31-15-18-7-3-1-4-8-18/h1-10,13-14,20H,11-12,15-17H2