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

Systemtic Name: N-[2-chloranyl-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-chloro-5-[5-(hydroxymethyl)-2-furyl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-chloro-5-[5-(hydroxymethyl)-2-furanyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-chloro-5-(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=C(C=CC(=C3)C4=CC=C(O4)CO)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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