5-(2-bromoethylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(2-bromoethylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(2-bromoethylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-(2-bromoethylamino)-2-(2-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(2-bromoethylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(2-bromoethylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile Formula: C12H9BrN4O3 MolecularWeight: 337.12886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=C(O2)NCCBr)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=C(O2)NCCBr)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H9BrN4O3/c13-5-6-15-12-9(7-14)16-11(20-12)8-3-1-2-4-10(8)17(18)19/h1-4,15H,5-6H2