2-bromanyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-nitro-aniline

Systemtic Name: 2-bromanyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-nitro-aniline Openeye Name: 2-bromo-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-nitro-aniline CAS Name: 2-bromo-N-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-nitroaniline IUPAC Name: 2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-nitroaniline Traditional Name: (2-bromo-4-nitro-phenyl)-[(3,5-dimethylisoxazol-4-yl)methyl]amine Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CNC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NO1)C)CNC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H12BrN3O3/c1-7-10(8(2)19-15-7)6-14-12-4-3-9(16(17)18)5-11(12)13/h3-5,14H,6H2,1-2H3