2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-6-nitro-benzoate

Systemtic Name: 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-6-nitro-benzoate Openeye Name: 2-[(4-methylthiazol-2-yl)carbamoyl]-6-nitro-benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]-6-nitrobenzoate IUPAC Name: 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-6-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)carbamoyl]-6-nitro-benzoate Formula: C12H8N3O5S- MolecularWeight: 306.27402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H9N3O5S/c1-6-5-21-12(13-6)14-10(16)7-3-2-4-8(15(19)20)9(7)11(17)18/h2-5H,1H3,(H,17,18)(H,13,14,16)/p-1