N-[5-[1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[5-[1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-[1-(4-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-[5-keto-1-(4-methoxyphenyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Formula: C20H16N6O7S MolecularWeight: 484.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O7S/c1-33-16-4-2-13(3-5-16)24-10-12(8-17(24)27)19-22-23-20(34-19)21-18(28)11-6-14(25(29)30)9-15(7-11)26(31)32/h2-7,9,12H,8,10H2,1H3,(H,21,23,28)