N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-hydroxy-4-nitro-benzamide CAS Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-hydroxy-4-nitrobenzamide IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-hydroxy-4-nitrobenzamide Traditional Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-hydroxy-4-nitro-benzamide Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)(CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O6/c24-17-11-14(3-5-16(17)23(26)27)20(25)22-13-21(7-1-2-8-21)15-4-6-18-19(12-15)29-10-9-28-18/h3-6,11-12,24H,1-2,7-10,13H2,(H,22,25)