ethyl 5-[(E)-[(3-nitrophenyl)amino]methylideneamino]-1,2,3-thiadiazole-4-carboxylate

Systemtic Name: ethyl 5-[(E)-[(3-nitrophenyl)amino]methylideneamino]-1,2,3-thiadiazole-4-carboxylate Openeye Name: ethyl 5-[(E)-(3-nitroanilino)methyleneamino]thiadiazole-4-carboxylate CAS Name: 5-[(E)-(3-nitroanilino)methylideneamino]-4-thiadiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-(3-nitroanilino)methylideneamino]thiadiazole-4-carboxylate Traditional Name: 5-[(E)-(3-nitroanilino)methyleneamino]thiadiazole-4-carboxylic acid ethyl ester Formula: C12H11N5O4S MolecularWeight: 321.31184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=N1)N=CNC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SN=N1)/N=C/NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4S/c1-2-21-12(18)10-11(22-16-15-10)14-7-13-8-4-3-5-9(6-8)17(19)20/h3-7H,2H2,1H3,(H,13,14)