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

Systemtic Name: 3-[[(2-methylphenyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[(2-methylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[(2-methylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[(2-methylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 6-nitro-3-(o-toluidinomethyl)-1,3-benzoxazol-2-one Formula: C15H13N3O4 MolecularWeight: 299.28142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC=CC=C1NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C15H13N3O4/c1-10-4-2-3-5-12(10)16-9-17-13-7-6-11(18(20)21)8-14(13)22-15(17)19/h2-8,16H,9H2,1H3