4-methyl-2-[(3-nitrophenyl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-methyl-2-[(3-nitrophenyl)amino]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-(3-nitroanilino)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-nitroanilino)-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-(3-nitroanilino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3-nitroanilino)thiazole-5-carboxylate Formula: C11H8N3O4S- MolecularWeight: 278.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H9N3O4S/c1-6-9(10(15)16)19-11(12-6)13-7-3-2-4-8(5-7)14(17)18/h2-5H,1H3,(H,12,13)(H,15,16)/p-1