2-[2-[(3-nitrophenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-nitrophenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[(3-nitrobenzoyl)amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[(3-nitrophenyl)-oxomethyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[(3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(3-nitrobenzoyl)amino]thiazol-4-yl]acetic acid Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O5S/c16-10(17)5-8-6-21-12(13-8)14-11(18)7-2-1-3-9(4-7)15(19)20/h1-4,6H,5H2,(H,16,17)(H,13,14,18)