1-[[5-(2-nitrophenyl)furan-2-yl]methyl]azepane

Systemtic Name: 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]azepane Openeye Name: 1-[[5-(2-nitrophenyl)-2-furyl]methyl]azepane CAS Name: 1-[[5-(2-nitrophenyl)-2-furanyl]methyl]azepane IUPAC Name: 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]azepane Traditional Name: 1-[[5-(2-nitrophenyl)-2-furyl]methyl]azepane Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O3/c20-19(21)16-8-4-3-7-15(16)17-10-9-14(22-17)13-18-11-5-1-2-6-12-18/h3-4,7-10H,1-2,5-6,11-13H2