4-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2S)-2-(2-furyl)-2-(1-piperidyl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2S)-2-(2-furyl)-2-piperidino-ethyl]-3-nitro-benzamide Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CCN(CC1)[C@@H](CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H20ClN3O4/c19-14-7-6-13(11-15(14)22(24)25)18(23)20-12-16(17-5-4-10-26-17)21-8-2-1-3-9-21/h4-7,10-11,16H,1-3,8-9,12H2,(H,20,23)/t16-/m0/s1