ethyl 1-(3-bromophenyl)-5-[(E)-dimethylaminomethylideneamino]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-5-[(E)-dimethylaminomethylideneamino]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-5-[(E)-dimethylaminomethyleneamino]triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-[(E)-dimethylaminomethylideneamino]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-5-[(E)-dimethylaminomethylideneamino]triazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-[(E)-dimethylaminomethyleneamino]triazole-4-carboxylic acid ethyl ester Formula: C14H16BrN5O2 MolecularWeight: 366.21314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC(=CC=C2)Br)N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC(=CC=C2)Br)/N=C/N(C)C

InChI

InChI=1S/C14H16BrN5O2/c1-4-22-14(21)12-13(16-9-19(2)3)20(18-17-12)11-7-5-6-10(15)8-11/h5-9H,4H2,1-3H3/b16-9+