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

Systemtic Name: ethyl 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-chloro-3-nitro-benzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-chloro-3-nitrobenzoyl)-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-chloro-3-nitro-benzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O5S/c1-2-26-17(23)13-9-27-15(19-13)8-20(11-4-5-11)16(22)10-3-6-12(18)14(7-10)21(24)25/h3,6-7,9,11H,2,4-5,8H2,1H3