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

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-hydroxy-4-nitro-phenyl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(3-hydroxy-4-nitrophenyl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(3-hydroxy-4-nitro-phenyl)methanone Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/c22-15-10-11(7-8-13(15)21(24)25)18(23)20-9-3-5-14(20)17-19-12-4-1-2-6-16(12)26-17/h1-2,4,6-8,10,14,22H,3,5,9H2