2-nitro-5-(oxan-4-yloxy)-4-phenylmethoxy-benzoic acid

Systemtic Name: 2-nitro-5-(oxan-4-yloxy)-4-phenylmethoxy-benzoic acid Openeye Name: 4-benzyloxy-2-nitro-5-tetrahydropyran-4-yloxy-benzoic acid CAS Name: 2-nitro-5-(4-oxanyloxy)-4-phenylmethoxybenzoic acid IUPAC Name: 2-nitro-5-(oxan-4-yloxy)-4-phenylmethoxybenzoic acid Traditional Name: 4-benzoxy-2-nitro-5-tetrahydropyran-4-yloxy-benzoic acid Formula: C19H19NO7 MolecularWeight: 373.35666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7/c21-19(22)15-10-18(27-14-6-8-25-9-7-14)17(11-16(15)20(23)24)26-12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12H2,(H,21,22)