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

Systemtic Name: 4-chloranyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2R)-2-(2-furyl)-2-pyrrolidino-ethyl]-3-nitro-benzamide Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CCN(C1)[C@H](CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H18ClN3O4/c18-13-6-5-12(10-14(13)21(23)24)17(22)19-11-15(16-4-3-9-25-16)20-7-1-2-8-20/h3-6,9-10,15H,1-2,7-8,11H2,(H,19,22)/t15-/m1/s1