(2R)-4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-(3-nitro-1,2,4-triazol-1-yl)butyrate Formula: C12H8BrN4O5- MolecularWeight: 368.11972

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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)C[C@H](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)/p-1/t9-/m1/s1