3-chloranyl-N-(2-chloroethyl)-N-methyl-propan-1-amine; 2,4,6-trinitrophenolate

Systemtic Name: 3-chloranyl-N-(2-chloroethyl)-N-methyl-propan-1-amine; 2,4,6-trinitrophenolate Openeye Name: 3-chloro-N-(2-chloroethyl)-N-methyl-propan-1-amine; 2,4,6-trinitrophenolate CAS Name: 3-chloro-N-(2-chloroethyl)-N-methyl-1-propanamine; 2,4,6-trinitrophenolate IUPAC Name: 3-chloro-N-(2-chloroethyl)-N-methylpropan-1-amine; 2,4,6-trinitrophenolate Traditional Name: 2-chloroethyl-(3-chloropropyl)-methyl-amine picrate Formula: C12H15Cl2N4O7- MolecularWeight: 398.1761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13Cl2N.C6H3N3O7/c1-9(6-4-8)5-2-3-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H2,1H3;1-2,10H/p-1