4-[5-(dimethylamino)-2-nitro-4-octan-2-yloxy-phenyl]benzoic acid

Systemtic Name: 4-[5-(dimethylamino)-2-nitro-4-octan-2-yloxy-phenyl]benzoic acid Openeye Name: 4-[5-(dimethylamino)-4-(1-methylheptoxy)-2-nitro-phenyl]benzoic acid CAS Name: 4-[5-(dimethylamino)-2-nitro-4-octan-2-yloxyphenyl]benzoic acid IUPAC Name: 4-[5-(dimethylamino)-2-nitro-4-octan-2-yloxyphenyl]benzoic acid Traditional Name: 4-[5-(dimethylamino)-4-(1-methylheptoxy)-2-nitro-phenyl]benzoic acid Formula: C23H30N2O5 MolecularWeight: 414.4947

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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)O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5/c1-5-6-7-8-9-16(2)30-22-15-20(25(28)29)19(14-21(22)24(3)4)17-10-12-18(13-11-17)23(26)27/h10-16H,5-9H2,1-4H3,(H,26,27)