(phenylmethyl) 2-nitro-5-(oxan-4-yloxy)-4-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 2-nitro-5-(oxan-4-yloxy)-4-phenylmethoxy-benzoate Openeye Name: benzyl 4-benzyloxy-2-nitro-5-tetrahydropyran-4-yloxy-benzoate CAS Name: 2-nitro-5-(4-oxanyloxy)-4-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-nitro-5-(oxan-4-yloxy)-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-nitro-5-tetrahydropyran-4-yloxy-benzoic acid benzyl ester Formula: C26H25NO7 MolecularWeight: 463.4792

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1OC2=C(C=C(C(=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

C1COCCC1OC2=C(C=C(C(=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO7/c28-26(33-18-20-9-5-2-6-10-20)22-15-25(34-21-11-13-31-14-12-21)24(16-23(22)27(29)30)32-17-19-7-3-1-4-8-19/h1-10,15-16,21H,11-14,17-18H2