[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-chloranyl-3-nitro-phenyl)methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-chloranyl-3-nitro-phenyl)methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-chloro-3-nitro-phenyl)methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-(4-chloro-3-nitrophenyl)methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-chloro-3-nitrophenyl)methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-(4-chloro-3-nitro-phenyl)methanone Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H15ClN4O3/c19-12-8-7-11(10-16(12)23(25)26)18(24)22-9-3-6-15(22)17-20-13-4-1-2-5-14(13)21-17/h1-2,4-5,7-8,10,15H,3,6,9H2,(H,20,21)/t15-/m0/s1