[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate

Systemtic Name: [4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate Openeye Name: [4-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] propanoate CAS Name: propanoic acid [4-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate Traditional Name: propionic acid [4-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5S/c1-2-11(17)21-9-5-3-8(4-6-9)12(18)15-13-14-7-10(22-13)16(19)20/h3-7H,2H2,1H3,(H,14,15,18)