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

Systemtic Name: 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]-6-nitro-benzoate Openeye Name: 2-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]-6-nitro-benzoate CAS Name: 2-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-oxomethyl]-6-nitrobenzoate IUPAC Name: 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]-6-nitrobenzoate Traditional Name: 2-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]-6-nitro-benzoate Formula: C17H9BrN3O5S- MolecularWeight: 447.23946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H10BrN3O5S/c18-10-6-4-9(5-7-10)12-8-27-17(19-12)20-15(22)11-2-1-3-13(21(25)26)14(11)16(23)24/h1-8H,(H,23,24)(H,19,20,22)/p-1