3-[[(2,4-dimethylphenyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(2,4-dimethylphenyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[(2,4-dimethylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

InChI

InChI=1S/C16H15N3O4/c1-10-3-5-13(11(2)7-10)17-9-18-14-6-4-12(19(21)22)8-15(14)23-16(18)20/h3-8,17H,9H2,1-2H3