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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N=C2N(C=CS2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N=C2N(C=CS2)CC(=O)O)[N+](=O)[O-]

InChI

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