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

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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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=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O6S/c1-12(18(24)21-15-5-3-4-6-17(15)23(26)27)29-20(25)16-11-30-19(22-16)13-7-9-14(28-2)10-8-13/h3-12H,1-2H3,(H,21,24)