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

Systemtic Name: [4-(4-nonoxyphenyl)phenyl] 5-(dimethylamino)-2-nitro-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-nonoxyphenyl)phenyl] 5-(dimethylamino)-4-(1-methylheptoxy)-2-nitro-benzoate CAS Name: 5-(dimethylamino)-2-nitro-4-octan-2-yloxybenzoic acid [4-(4-nonoxyphenyl)phenyl] ester IUPAC Name: [4-(4-nonoxyphenyl)phenyl] 5-(dimethylamino)-2-nitro-4-octan-2-yloxybenzoate Traditional Name: 5-(dimethylamino)-4-(1-methylheptoxy)-2-nitro-benzoic acid [4-(4-nonoxyphenyl)phenyl] ester Formula: C38H52N2O6 MolecularWeight: 632.82928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC(C)CCCCCC)N(C)C

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC(C)CCCCCC)N(C)C

InChI

InChI=1S/C38H52N2O6/c1-6-8-10-12-13-14-16-26-44-32-22-18-30(19-23-32)31-20-24-33(25-21-31)46-38(41)34-27-36(39(4)5)37(28-35(34)40(42)43)45-29(3)17-15-11-9-7-2/h18-25,27-29H,6-17,26H2,1-5H3