N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,5-dinitro-benzamide Openeye Name: N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,5-dinitro-benzamide CAS Name: N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,5-dinitrobenzamide Traditional Name: N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,5-dinitro-benzamide Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O7/c1-30-18-6-5-15(11-19(18)31-2)21(7-3-4-8-21)13-22-20(25)14-9-16(23(26)27)12-17(10-14)24(28)29/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,22,25)