[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-nitro-phenyl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(2-chloro-4-nitrophenyl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-nitrophenyl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(2-chloro-4-nitro-phenyl)methanone Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O3S/c19-13-10-11(22(24)25)7-8-12(13)18(23)21-9-3-5-15(21)17-20-14-4-1-2-6-16(14)26-17/h1-2,4,6-8,10,15H,3,5,9H2