methyl 4-(3-nitro-4-octan-2-yloxy-phenyl)benzoate

Systemtic Name: methyl 4-(3-nitro-4-octan-2-yloxy-phenyl)benzoate Openeye Name: methyl 4-[4-(1-methylheptoxy)-3-nitro-phenyl]benzoate CAS Name: 4-(3-nitro-4-octan-2-yloxyphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-nitro-4-octan-2-yloxyphenyl)benzoate Traditional Name: 4-[4-(1-methylheptoxy)-3-nitro-phenyl]benzoic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO5/c1-4-5-6-7-8-16(2)28-21-14-13-19(15-20(21)23(25)26)17-9-11-18(12-10-17)22(24)27-3/h9-16H,4-8H2,1-3H3