(4-benzamido-5-nitro-1,3-thiazol-2-yl) propanoate

Systemtic Name: (4-benzamido-5-nitro-1,3-thiazol-2-yl) propanoate Openeye Name: (4-benzamido-5-nitro-thiazol-2-yl) propanoate CAS Name: propanoic acid (4-benzamido-5-nitro-2-thiazolyl) ester IUPAC Name: (4-benzamido-5-nitro-1,3-thiazol-2-yl) propanoate Traditional Name: propionic acid (4-benzamido-5-nitro-thiazol-2-yl) ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=NC(=C(S1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1=NC(=C(S1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H11N3O5S/c1-2-9(17)21-13-15-10(12(22-13)16(19)20)14-11(18)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,18)