2-[2-(4-ethoxyphenoxy)ethanoyl-(3-methoxyphenyl)amino]ethyl-diethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: 2-[2-(4-ethoxyphenoxy)ethanoyl-(3-methoxyphenyl)amino]ethyl-diethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: 2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxy-anilino)ethyl-diethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: 2-(N-[2-(4-ethoxyphenoxy)-1-oxoethyl]-3-methoxyanilino)ethyl-diethylammonium; 2,4,6-trinitrophenolate IUPAC Name: 2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium; 2,4,6-trinitrophenolate Traditional Name: 2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxy-anilino)ethyl-diethyl-ammonium picrate Formula: C29H35N5O11 MolecularWeight: 629.6151

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=CC(=CC=C1)OC)C(=O)COC2=CC=C(C=C2)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=CC(=CC=C1)OC)C(=O)COC2=CC=C(C=C2)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H32N2O4.C6H3N3O7/c1-5-24(6-2)15-16-25(19-9-8-10-22(17-19)27-4)23(26)18-29-21-13-11-20(12-14-21)28-7-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-14,17H,5-7,15-16,18H2,1-4H3;1-2,10H