methyl 4-[5-(dimethylamino)-2-nitro-4-octan-2-yloxy-phenyl]benzoate

Systemtic Name: methyl 4-[5-(dimethylamino)-2-nitro-4-octan-2-yloxy-phenyl]benzoate Openeye Name: methyl 4-[5-(dimethylamino)-4-(1-methylheptoxy)-2-nitro-phenyl]benzoate CAS Name: 4-[5-(dimethylamino)-2-nitro-4-octan-2-yloxyphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(dimethylamino)-2-nitro-4-octan-2-yloxyphenyl]benzoate Traditional Name: 4-[5-(dimethylamino)-4-(1-methylheptoxy)-2-nitro-phenyl]benzoic acid methyl ester Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O5/c1-6-7-8-9-10-17(2)31-23-16-21(26(28)29)20(15-22(23)25(3)4)18-11-13-19(14-12-18)24(27)30-5/h11-17H,6-10H2,1-5H3