(phenylmethyl) 3-nitro-4-(5-oxidanylpentyl)benzoate

Systemtic Name: (phenylmethyl) 3-nitro-4-(5-oxidanylpentyl)benzoate Openeye Name: benzyl 4-(5-hydroxypentyl)-3-nitro-benzoate CAS Name: 4-(5-hydroxypentyl)-3-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-hydroxypentyl)-3-nitrobenzoate Traditional Name: 4-(5-hydroxypentyl)-3-nitro-benzoic acid benzyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)CCCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)CCCCCO)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO5/c21-12-6-2-5-9-16-10-11-17(13-18(16)20(23)24)19(22)25-14-15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13,21H,2,5-6,9,12,14H2