[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C13H9N3O7S MolecularWeight: 351.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O7S/c17-10(15-13-14-4-11(24-13)16(19)20)5-21-12(18)7-1-2-8-9(3-7)23-6-22-8/h1-4H,5-6H2,(H,14,15,17)