dimethyl 4-pyrrolidin-1-ylheptanedioate; 2,4,6-trinitrophenol

Systemtic Name: dimethyl 4-pyrrolidin-1-ylheptanedioate; 2,4,6-trinitrophenol Openeye Name: dimethyl 4-pyrrolidin-1-ylheptanedioate; picric acid CAS Name: 4-(1-pyrrolidinyl)heptanedioic acid dimethyl ester; 2,4,6-trinitrophenol IUPAC Name: dimethyl 4-pyrrolidin-1-ylheptanedioate; 2,4,6-trinitrophenol Traditional Name: picric acid; 4-pyrrolidinopimelic acid dimethyl ester Formula: C19H26N4O11 MolecularWeight: 486.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)OC)N1CCCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(CCC(=O)OC)N1CCCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H23NO4.C6H3N3O7/c1-17-12(15)7-5-11(6-8-13(16)18-2)14-9-3-4-10-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11H,3-10H2,1-2H3;1-2,10H