(4-ethoxy-2-methyl-phenyl)methyl 3-nitro-2-oxidanyl-benzoate

Systemtic Name: (4-ethoxy-2-methyl-phenyl)methyl 3-nitro-2-oxidanyl-benzoate Openeye Name: (4-ethoxy-2-methyl-phenyl)methyl 2-hydroxy-3-nitro-benzoate CAS Name: 2-hydroxy-3-nitrobenzoic acid (4-ethoxy-2-methylphenyl)methyl ester IUPAC Name: (4-ethoxy-2-methylphenyl)methyl 2-hydroxy-3-nitrobenzoate Traditional Name: 2-hydroxy-3-nitro-benzoic acid (4-ethoxy-2-methyl-benzyl) ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C17H17NO6/c1-3-23-13-8-7-12(11(2)9-13)10-24-17(20)14-5-4-6-15(16(14)19)18(21)22/h4-9,19H,3,10H2,1-2H3