methyl 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(2-chloro-4-nitro-benzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-4-nitro-benzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C16H14ClN3O5S MolecularWeight: 395.81746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN3O5S/c1-25-16(22)13-8-26-14(18-13)7-19(9-2-3-9)15(21)11-5-4-10(20(23)24)6-12(11)17/h4-6,8-9H,2-3,7H2,1H3