ethyl 1-(3-cyanopropyl)pyrrolidine-2-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 1-(3-cyanopropyl)pyrrolidine-2-carboxylate; 2,4,6-trinitrophenol Openeye Name: ethyl 1-(3-cyanopropyl)pyrrolidine-2-carboxylate; picric acid CAS Name: 1-(3-cyanopropyl)-2-pyrrolidinecarboxylic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 1-(3-cyanopropyl)pyrrolidine-2-carboxylate; 2,4,6-trinitrophenol Traditional Name: 1-(3-cyanopropyl)pyrrolidine-2-carboxylic acid ethyl ester; picric acid Formula: C17H21N5O9 MolecularWeight: 439.37674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1CCCC#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN1CCCC#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H18N2O2.C6H3N3O7/c1-2-15-11(14)10-6-5-9-13(10)8-4-3-7-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10H,2-6,8-9H2,1H3;1-2,10H