ethyl 1-azanyl-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxylate

Systemtic Name: ethyl 1-azanyl-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxylate Openeye Name: ethyl 1-amino-3-[2-(4-bromophenyl)-2-oxo-ethyl]-5-oxo-2H-triazol-3-ium-4-carboxylate CAS Name: 1-amino-3-[2-(4-bromophenyl)-2-oxoethyl]-5-oxo-2H-triazol-3-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-amino-3-[2-(4-bromophenyl)-2-oxoethyl]-5-oxo-2H-triazol-3-ium-4-carboxylate Traditional Name: 1-amino-3-[2-(4-bromophenyl)-2-keto-ethyl]-5-keto-2H-triazol-3-ium-4-carboxylic acid ethyl ester Formula: C13H14BrN4O4+ MolecularWeight: 370.17866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](NN(C1=O)N)CC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=[N+](NN(C1=O)N)CC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN4O4/c1-2-22-13(21)11-12(20)18(15)16-17(11)7-10(19)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2-,15,16,20,21)/p+1