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ethyl 5-azanylidene-4-(4-ethoxy-2-nitro-phenyl)-1,3,4-thiadiazole-2-carboxylate

ethyl 5-azanylidene-4-(4-ethoxy-2-nitro-phenyl)-1,3,4-thiadiazole-2-carboxylate

Systemtic Name:ethyl 5-azanylidene-4-(4-ethoxy-2-nitro-phenyl)-1,3,4-thiadiazole-2-carboxylate
Openeye Name:ethyl 4-(4-ethoxy-2-nitro-phenyl)-5-imino-1,3,4-thiadiazole-2-carboxylate
CAS Name:4-(4-ethoxy-2-nitrophenyl)-5-imino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester
IUPAC Name:ethyl 4-(4-ethoxy-2-nitrophenyl)-5-imino-1,3,4-thiadiazole-2-carboxylate
Traditional Name:4-(4-ethoxy-2-nitro-phenyl)-5-imino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester
Formula: C13H14N4O5S
MolecularWeight: 338.33906
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=N)SC(=N2)C(=O)OCC)[N+](=O)[O-]


Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=N)SC(=N2)C(=O)OCC)[N+](=O)[O-]


InChI

InChI=1S/C13H14N4O5S/c1-3-21-8-5-6-9(10(7-8)17(19)20)16-13(14)23-11(15-16)12(18)22-4-2/h5-7,14H,3-4H2,1-2H3


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