2-phenylpentan-3-yl 3-nitro-5-oxidanyl-benzoate

Systemtic Name: 2-phenylpentan-3-yl 3-nitro-5-oxidanyl-benzoate Openeye Name: (1-ethyl-2-phenyl-propyl) 3-hydroxy-5-nitro-benzoate CAS Name: 3-hydroxy-5-nitrobenzoic acid 2-phenylpentan-3-yl ester IUPAC Name: 2-phenylpentan-3-yl 3-hydroxy-5-nitrobenzoate Traditional Name: 3-hydroxy-5-nitro-benzoic acid (1-ethyl-2-phenyl-propyl) ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C(C)C1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5/c1-3-17(12(2)13-7-5-4-6-8-13)24-18(21)14-9-15(19(22)23)11-16(20)10-14/h4-12,17,20H,3H2,1-2H3