[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H14ClN3O6S MolecularWeight: 447.84896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN3O6S/c1-28-13-5-2-11(3-6-13)18-22-15(10-30-18)19(25)29-9-17(24)21-12-4-7-14(20)16(8-12)23(26)27/h2-8,10H,9H2,1H3,(H,21,24)