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

Systemtic Name: methyl 2-[[(3,5-dinitrophenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3,5-dinitrobenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3,5-dinitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3,5-dinitrobenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3,5-dinitrobenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C16H16N4O7S MolecularWeight: 408.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O7S/c1-9(2)18(7-14-17-13(8-28-14)16(22)27-3)15(21)10-4-11(19(23)24)6-12(5-10)20(25)26/h4-6,8-9H,7H2,1-3H3