N-(4-methyl-3,5-dinitro-phenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-(4-methyl-3,5-dinitro-phenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide Openeye Name: N-(4-methyl-3,5-dinitro-phenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide CAS Name: N-(4-methyl-3,5-dinitrophenyl)-5-(1-pyrrolidinylmethyl)-2-furancarboxamide IUPAC Name: N-(4-methyl-3,5-dinitrophenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide Traditional Name: N-(4-methyl-3,5-dinitro-phenyl)-5-(pyrrolidinomethyl)-2-furamide Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC=C(O2)CN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC=C(O2)CN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6/c1-11-14(20(23)24)8-12(9-15(11)21(25)26)18-17(22)16-5-4-13(27-16)10-19-6-2-3-7-19/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,22)