N-[3-chloranyl-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-[5-(hydroxymethyl)-2-furyl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-chloro-4-[5-(hydroxymethyl)-2-furanyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(5-methylol-2-furyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C4=CC=C(O4)CO)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C4=CC=C(O4)CO)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN3O5/c23-18-12-15(4-6-17(18)21-8-5-16(13-27)31-21)24-22(28)14-3-7-19(20(11-14)26(29)30)25-9-1-2-10-25/h3-8,11-12,27H,1-2,9-10,13H2,(H,24,28)