N,N-bis(2-chloroethyl)-3-(pyrrolidin-1-ylmethyl)aniline; 2,4,6-trinitrophenolate

Systemtic Name: N,N-bis(2-chloroethyl)-3-(pyrrolidin-1-ylmethyl)aniline; 2,4,6-trinitrophenolate Openeye Name: N,N-bis(2-chloroethyl)-3-(pyrrolidin-1-ylmethyl)aniline; 2,4,6-trinitrophenolate CAS Name: N,N-bis(2-chloroethyl)-3-(1-pyrrolidinylmethyl)aniline; 2,4,6-trinitrophenolate IUPAC Name: N,N-bis(2-chloroethyl)-3-(pyrrolidin-1-ylmethyl)aniline; 2,4,6-trinitrophenolate Traditional Name: bis(2-chloroethyl)-[3-(pyrrolidinomethyl)phenyl]amine picrate Formula: C21H24Cl2N5O7- MolecularWeight: 529.35056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)N(CCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)N(CCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H22Cl2N2.C6H3N3O7/c16-6-10-19(11-7-17)15-5-3-4-14(12-15)13-18-8-1-2-9-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,12H,1-2,6-11,13H2;1-2,10H/p-1