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

Systemtic Name: ethyl 2-[[cyclopropyl-(3,5-dinitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-[(3,5-dinitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H16N4O7S MolecularWeight: 420.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O7S/c1-2-28-17(23)14-9-29-15(18-14)8-19(11-3-4-11)16(22)10-5-12(20(24)25)7-13(6-10)21(26)27/h5-7,9,11H,2-4,8H2,1H3