methyl 3-nitro-4-octan-2-yloxy-benzoate

Systemtic Name: methyl 3-nitro-4-octan-2-yloxy-benzoate Openeye Name: methyl 4-(1-methylheptoxy)-3-nitro-benzoate CAS Name: 3-nitro-4-octan-2-yloxybenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-octan-2-yloxybenzoate Traditional Name: 4-(1-methylheptoxy)-3-nitro-benzoic acid methyl ester Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H23NO5/c1-4-5-6-7-8-12(2)22-15-10-9-13(16(18)21-3)11-14(15)17(19)20/h9-12H,4-8H2,1-3H3