[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]-5-oxidanyl-phenyl] propanoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]-5-oxidanyl-phenyl] propanoate Openeye Name: [5-hydroxy-2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] propanoate CAS Name: propanoic acid [5-hydroxy-2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [5-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate Traditional Name: propionic acid [5-hydroxy-2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] ester Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=CC(=C1)O)C(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC1=C(C=CC(=C1)O)C(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6S/c1-2-11(18)22-9-5-7(17)3-4-8(9)12(19)15-13-14-6-10(23-13)16(20)21/h3-6,17H,2H2,1H3,(H,14,15,19)