(2-methyl-3-phenyl-propyl) 5-nitro-2-oxidanyl-benzoate

Systemtic Name: (2-methyl-3-phenyl-propyl) 5-nitro-2-oxidanyl-benzoate Openeye Name: (2-methyl-3-phenyl-propyl) 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid (2-methyl-3-phenylpropyl) ester IUPAC Name: (2-methyl-3-phenylpropyl) 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid (2-methyl-3-phenyl-propyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(CC1=CC=CC=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17NO5/c1-12(9-13-5-3-2-4-6-13)11-23-17(20)15-10-14(18(21)22)7-8-16(15)19/h2-8,10,12,19H,9,11H2,1H3