N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-[(3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Formula: C21H17N5O6S MolecularWeight: 467.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O6S/c27-18(15-5-2-8-25(15)20(28)13-3-1-4-14(9-13)26(29)30)22-21-24-23-19(33-21)12-6-7-16-17(10-12)32-11-31-16/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,22,24,27)