ethyl 5-ethanoylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 5-ethanoylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 5-acetylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-acetylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-acetylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NC(=O)C)S1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=NC(=O)C)S1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c1-3-22-12(19)11-15-16(13(23-11)14-8(2)18)9-4-6-10(7-5-9)17(20)21/h4-7H,3H2,1-2H3