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

Systemtic Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-nitro-aniline Openeye Name: N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-nitro-aniline CAS Name: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-nitroaniline Traditional Name: (3,5-dimethylisoxazol-4-yl)methyl-(4-nitrophenyl)amine Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-8-12(9(2)18-14-8)7-13-10-3-5-11(6-4-10)15(16)17/h3-6,13H,7H2,1-2H3