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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7S/c1-12(19(25)22-14-5-7-15(8-6-14)24(27)28)31-21(26)16-11-32-20(23-16)13-4-9-17(29-2)18(10-13)30-3/h4-12H,1-3H3,(H,22,25)