(2Z)-5-azanyloxy-2-[1-(3-bromophenyl)-2-imidazol-1-yl-ethylidene]pentanoic acid

Systemtic Name: (2Z)-5-azanyloxy-2-[1-(3-bromophenyl)-2-imidazol-1-yl-ethylidene]pentanoic acid Openeye Name: (2Z)-5-aminooxy-2-[1-(3-bromophenyl)-2-imidazol-1-yl-ethylidene]pentanoic acid CAS Name: (2Z)-5-aminooxy-2-[1-(3-bromophenyl)-2-(1-imidazolyl)ethylidene]pentanoic acid IUPAC Name: (2Z)-5-aminooxy-2-[1-(3-bromophenyl)-2-imidazol-1-ylethylidene]pentanoic acid Traditional Name: (Z)-2-(3-aminooxypropyl)-3-(3-bromophenyl)-4-imidazol-1-yl-but-2-enoic acid Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=C(CCCON)C(=O)O)CN2C=CN=C2

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C(=C(\CCCON)/C(=O)O)/CN2C=CN=C2

InChI

InChI=1S/C16H18BrN3O3/c17-13-4-1-3-12(9-13)15(10-20-7-6-19-11-20)14(16(21)22)5-2-8-23-18/h1,3-4,6-7,9,11H,2,5,8,10,18H2,(H,21,22)/b15-14+