(Z)-[1-azanyl-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2,3-triazol-3-ium-4-ylidene]-ethoxy-methanolate

Systemtic Name: (Z)-[1-azanyl-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2,3-triazol-3-ium-4-ylidene]-ethoxy-methanolate Openeye Name: (Z)-[1-amino-3-[2-(4-bromophenyl)-2-oxo-ethyl]-5-oxo-triazol-3-ium-4-ylidene]-ethoxy-methanolate CAS Name: (Z)-[1-amino-3-[2-(4-bromophenyl)-2-oxoethyl]-5-oxo-4-triazol-3-iumylidene]-ethoxymethanolate IUPAC Name: (Z)-[1-amino-3-[2-(4-bromophenyl)-2-oxoethyl]-5-oxotriazol-3-ium-4-ylidene]-ethoxymethanolate Traditional Name: (Z)-[1-amino-3-[2-(4-bromophenyl)-2-keto-ethyl]-5-keto-triazol-3-ium-4-ylidene]-ethoxy-methanolate Formula: C13H13BrN4O4 MolecularWeight: 369.17072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=O)N(N=[N+]1CC(=O)C2=CC=C(C=C2)Br)N)[O-]

Isomeric SMILES

CCO/C(=C\1/C(=O)N(N=[N+]1CC(=O)C2=CC=C(C=C2)Br)N)/[O-]

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)