N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C13H12N4O5S/c1-2-11-15-16-13(23-11)14-12(18)7-5-9-10(22-4-3-21-9)6-8(7)17(19)20/h5-6H,2-4H2,1H3,(H,14,16,18)