[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H14N4O5S/c23-16(20-13-4-1-5-15(7-13)22(25)26)10-27-17(24)8-14-11-28-18(21-14)12-3-2-6-19-9-12/h1-7,9,11H,8,10H2,(H,20,23)