azepan-1-yl-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone

Systemtic Name: azepan-1-yl-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone Openeye Name: azepan-1-yl-[4-[(2-nitrophenoxy)methyl]-2-thienyl]methanone CAS Name: 1-azepanyl-[4-[(2-nitrophenoxy)methyl]-2-thiophenyl]methanone IUPAC Name: azepan-1-yl-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone Traditional Name: azepan-1-yl-[4-[(2-nitrophenoxy)methyl]-2-thienyl]methanone Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CS2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CS2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c21-18(19-9-5-1-2-6-10-19)17-11-14(13-25-17)12-24-16-8-4-3-7-15(16)20(22)23/h3-4,7-8,11,13H,1-2,5-6,9-10,12H2