4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-4-keto-2-(3-nitro-1,2,4-triazol-1-yl)butyric acid Formula: C12H9BrN4O5 MolecularWeight: 369.12766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)O)N2C=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C(=O)O)N2C=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN4O5/c13-8-3-1-7(2-4-8)10(18)5-9(11(19)20)16-6-14-12(15-16)17(21)22/h1-4,6,9H,5H2,(H,19,20)