2-[4-chloranylbutyl(2-chloroethyl)amino]ethanamide; 2,4,6-trinitrophenolate

Systemtic Name: 2-[4-chloranylbutyl(2-chloroethyl)amino]ethanamide; 2,4,6-trinitrophenolate Openeye Name: 2-[4-chlorobutyl(2-chloroethyl)amino]acetamide; 2,4,6-trinitrophenolate CAS Name: 2-[4-chlorobutyl(2-chloroethyl)amino]acetamide; 2,4,6-trinitrophenolate IUPAC Name: 2-[4-chlorobutyl(2-chloroethyl)amino]acetamide; 2,4,6-trinitrophenolate Traditional Name: 2-[4-chlorobutyl(2-chloroethyl)amino]acetamide picrate Formula: C14H18Cl2N5O8- MolecularWeight: 455.22742

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C(CCCl)CN(CCCl)CC(=O)N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C(CCCl)CN(CCCl)CC(=O)N

InChI

InChI=1S/C8H16Cl2N2O.C6H3N3O7/c9-3-1-2-5-12(6-4-10)7-8(11)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-7H2,(H2,11,13);1-2,10H/p-1