N-(4-methoxy-3,5-dinitro-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-methoxy-3,5-dinitro-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-methoxy-3,5-dinitro-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4-methoxy-3,5-dinitrophenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-methoxy-3,5-dinitrophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-methoxy-3,5-dinitro-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H17N5O8 MolecularWeight: 431.35628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O8/c1-31-17-15(22(27)28)9-12(10-16(17)23(29)30)19-18(24)11-4-5-13(14(8-11)21(25)26)20-6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H,19,24)