ethyl 2-[[(3,5-dinitrophenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3,5-dinitrophenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3,5-dinitrobenzoyl)-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3,5-dinitrophenyl)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3,5-dinitrobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3,5-dinitrobenzoyl)-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c1-3-5-19(9-15-18-14(10-29-15)17(23)28-4-2)16(22)11-6-12(20(24)25)8-13(7-11)21(26)27/h6-8,10H,3-5,9H2,1-2H3