2-[(3,5-dinitrophenyl)carbonylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]-1,3-thiazole-4-carboxylate Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]thiazole-4-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-thiazolecarboxylate IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]thiazole-4-carboxylate Formula: C11H5N4O7S- MolecularWeight: 337.245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC(=CS2)C(=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC(=CS2)C(=O)[O-]

InChI

InChI=1S/C11H6N4O7S/c16-9(13-11-12-8(4-23-11)10(17)18)5-1-6(14(19)20)3-7(2-5)15(21)22/h1-4H,(H,17,18)(H,12,13,16)/p-1