ethyl 1-(phenylmethyl)pyrrolidine-2-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 1-(phenylmethyl)pyrrolidine-2-carboxylate; 2,4,6-trinitrophenol Openeye Name: ethyl 1-benzylpyrrolidine-2-carboxylate; picric acid CAS Name: 1-(phenylmethyl)-2-pyrrolidinecarboxylic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 1-benzylpyrrolidine-2-carboxylate; 2,4,6-trinitrophenol Traditional Name: 1-benzylpyrrolidine-2-carboxylic acid ethyl ester; picric acid Formula: C20H22N4O9 MolecularWeight: 462.41008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN1CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19NO2.C6H3N3O7/c1-2-17-14(16)13-9-6-10-15(13)11-12-7-4-3-5-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,7-8,13H,2,6,9-11H2,1H3;1-2,10H