[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] propanoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C12H11N3O5S MolecularWeight: 309.29784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5S/c1-2-11(17)20-6-10(16)14-12-13-8-4-3-7(15(18)19)5-9(8)21-12/h3-5H,2,6H2,1H3,(H,13,14,16)