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

Systemtic Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-nitro-pyridin-2-amine Openeye Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-nitro-pyridin-2-amine CAS Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-nitro-2-pyridinamine IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-nitropyridin-2-amine Traditional Name: [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl-(3-nitro-2-pyridyl)amine Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC2=C(C=CC=N2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)(CNC2=C(C=CC=N2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H21N3O4/c23-22(24)15-4-3-9-20-18(15)21-13-19(7-1-2-8-19)14-5-6-16-17(12-14)26-11-10-25-16/h3-6,9,12H,1-2,7-8,10-11,13H2,(H,20,21)