N-butyl-1-(3,5-dinitrophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-butyl-1-(3,5-dinitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-butyl-1-(3,5-dinitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-butyl-1-[(3,5-dinitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-butyl-1-(3,5-dinitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-butyl-1-(3,5-dinitrobenzoyl)pyrrolidine-2-carboxamide Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1CCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6/c1-2-3-6-17-15(21)14-5-4-7-18(14)16(22)11-8-12(19(23)24)10-13(9-11)20(25)26/h8-10,14H,2-7H2,1H3,(H,17,21)