2-(4-butoxyphenoxy)-N-[1-(diethylamino)propan-2-yl]-N-(4-methoxyphenyl)ethanamide; 2,4,6-trinitrophenol

Systemtic Name: 2-(4-butoxyphenoxy)-N-[1-(diethylamino)propan-2-yl]-N-(4-methoxyphenyl)ethanamide; 2,4,6-trinitrophenol Openeye Name: 2-(4-butoxyphenoxy)-N-[2-(diethylamino)-1-methyl-ethyl]-N-(4-methoxyphenyl)acetamide; picric acid CAS Name: 2-(4-butoxyphenoxy)-N-[1-(diethylamino)propan-2-yl]-N-(4-methoxyphenyl)acetamide; 2,4,6-trinitrophenol IUPAC Name: 2-(4-butoxyphenoxy)-N-[1-(diethylamino)propan-2-yl]-N-(4-methoxyphenyl)acetamide; 2,4,6-trinitrophenol Traditional Name: 2-(4-butoxyphenoxy)-N-[2-(diethylamino)-1-methyl-ethyl]-N-(4-methoxyphenyl)acetamide; picric acid Formula: C32H41N5O11 MolecularWeight: 671.69484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC(=O)N(C2=CC=C(C=C2)OC)C(C)CN(CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC(=O)N(C2=CC=C(C=C2)OC)C(C)CN(CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H38N2O4.C6H3N3O7/c1-6-9-18-31-24-14-16-25(17-15-24)32-20-26(29)28(21(4)19-27(7-2)8-3)22-10-12-23(30-5)13-11-22;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-17,21H,6-9,18-20H2,1-5H3;1-2,10H