2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-3-nitro-benzoic acid

Systemtic Name: 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-3-nitro-benzoic acid Openeye Name: 2-(4,5-dihydrothiazol-2-ylcarbamoyl)-3-nitro-benzoic acid CAS Name: 2-[(4,5-dihydrothiazol-2-ylamino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-3-nitrobenzoic acid Traditional Name: 3-nitro-2-(2-thiazolin-2-ylcarbamoyl)benzoic acid Formula: C11H9N3O5S MolecularWeight: 295.27126

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CSC(=N1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9N3O5S/c15-9(13-11-12-4-5-20-11)8-6(10(16)17)2-1-3-7(8)14(18)19/h1-3H,4-5H2,(H,16,17)(H,12,13,15)