[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[2-(4-hydroxyphenyl)ethyl]-1-piperidinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-[2-(4-hydroxyphenyl)ethyl]piperidino]-(5-nitro-2-thienyl)methanone Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=C(C=C2)O)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CCC2=CC=C(C=C2)O)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c21-15-5-3-13(4-6-15)1-2-14-9-11-19(12-10-14)18(22)16-7-8-17(25-16)20(23)24/h3-8,14,21H,1-2,9-12H2