2-[1-[(2-nitrophenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(2-nitrophenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(2-nitrophenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[1-[(2-nitrophenyl)methyl]-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(2-nitrophenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[1-(2-nitrobenzyl)pyrrolidin-2-yl]-1,3-benzothiazole Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)CC2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3O2S/c22-21(23)15-8-3-1-6-13(15)12-20-11-5-9-16(20)18-19-14-7-2-4-10-17(14)24-18/h1-4,6-8,10,16H,5,9,11-12H2