(4-propan-2-ylphenyl)methyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 5-nitro-2-oxidanyl-benzoate Openeye Name: (4-isopropylphenyl)methyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid (4-isopropylbenzyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-11(2)13-5-3-12(4-6-13)10-23-17(20)15-9-14(18(21)22)7-8-16(15)19/h3-9,11,19H,10H2,1-2H3