4-methyl-4-[(5-nitro-1,3-benzoxazol-2-yl)amino]pentan-2-one

Systemtic Name: 4-methyl-4-[(5-nitro-1,3-benzoxazol-2-yl)amino]pentan-2-one Openeye Name: 4-methyl-4-[(5-nitro-1,3-benzoxazol-2-yl)amino]pentan-2-one CAS Name: 4-methyl-4-[(5-nitro-1,3-benzoxazol-2-yl)amino]-2-pentanone IUPAC Name: 4-methyl-4-[(5-nitro-1,3-benzoxazol-2-yl)amino]pentan-2-one Traditional Name: 4-methyl-4-[(5-nitro-1,3-benzoxazol-2-yl)amino]pentan-2-one Formula: C13H15N3O4 MolecularWeight: 277.2759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(C)(C)NC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-8(17)7-13(2,3)15-12-14-10-6-9(16(18)19)4-5-11(10)20-12/h4-6H,7H2,1-3H3,(H,14,15)