1-[1-[(4-chlorophenyl)methyl]-3-(4-nitrophenyl)-3-oxidanyl-piperidin-4-yl]prop-2-en-1-one

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-3-(4-nitrophenyl)-3-oxidanyl-piperidin-4-yl]prop-2-en-1-one Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(4-nitrophenyl)-4-piperidyl]prop-2-en-1-one CAS Name: 1-[1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(4-nitrophenyl)-4-piperidinyl]-2-propen-1-one IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(4-nitrophenyl)piperidin-4-yl]prop-2-en-1-one Traditional Name: 1-[1-(4-chlorobenzyl)-3-hydroxy-3-(4-nitrophenyl)-4-piperidyl]prop-2-en-1-one Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C1CCN(CC1(C2=CC=C(C=C2)[N+](=O)[O-])O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CC(=O)C1CCN(CC1(C2=CC=C(C=C2)[N+](=O)[O-])O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-2-20(25)19-11-12-23(13-15-3-7-17(22)8-4-15)14-21(19,26)16-5-9-18(10-6-16)24(27)28/h2-10,19,26H,1,11-14H2