ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]thiazole-4-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]thiazole-4-carboxylic acid ethyl ester Formula: C13H10N4O7S MolecularWeight: 366.3061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O7S/c1-2-24-12(19)10-6-25-13(14-10)15-11(18)7-3-8(16(20)21)5-9(4-7)17(22)23/h3-6H,2H2,1H3,(H,14,15,18)