[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-pyrimidin-2-ylthiazole-4-carboxylate CAS Name: 2-(2-pyrimidinyl)-4-thiazolecarboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-pyrimidyl)thiazole-4-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C17H13N5O5S MolecularWeight: 399.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CSC(=N2)C3=NC=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CSC(=N2)C3=NC=CC=N3

InChI

InChI=1S/C17H13N5O5S/c1-10(15(23)20-11-5-2-3-6-13(11)22(25)26)27-17(24)12-9-28-16(21-12)14-18-7-4-8-19-14/h2-10H,1H3,(H,20,23)