N-(1H-benzimidazol-2-ylmethyl)-1-[(4-chloranyl-2-nitro-phenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(4-chloranyl-2-nitro-phenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(4-chloro-2-nitro-phenyl)methyl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(4-chloro-2-nitrophenyl)methyl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(4-chloro-2-nitrophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-1-(4-chloro-2-nitro-benzyl)-4-hydroxy-pyrrolidine-2-carboxamide Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCC2=NC3=CC=CC=C3N2)CC4=C(C=C(C=C4)Cl)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1C(=O)NCC2=NC3=CC=CC=C3N2)CC4=C(C=C(C=C4)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C20H20ClN5O4/c21-13-6-5-12(17(7-13)26(29)30)10-25-11-14(27)8-18(25)20(28)22-9-19-23-15-3-1-2-4-16(15)24-19/h1-7,14,18,27H,8-11H2,(H,22,28)(H,23,24)