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

Systemtic Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-nitro-aniline Openeye Name: N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-methyl-2-nitro-aniline CAS Name: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-methyl-2-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-nitroaniline Traditional Name: (3,5-dimethylisoxazol-4-yl)methyl-(4-methyl-2-nitro-phenyl)amine Formula: C13H15N3O3 MolecularWeight: 261.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC2=C(ON=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NCC2=C(ON=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3/c1-8-4-5-12(13(6-8)16(17)18)14-7-11-9(2)15-19-10(11)3/h4-6,14H,7H2,1-3H3