2-[[(5-bromanyl-2-methyl-phenyl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(5-bromanyl-2-methyl-phenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(5-bromo-2-methyl-anilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(5-bromo-2-methylanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(5-bromo-2-methylanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(5-bromo-2-methyl-anilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H12BrN3O4 MolecularWeight: 390.18818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O4/c1-9-2-3-10(17)6-14(9)18-8-19-15(21)12-5-4-11(20(23)24)7-13(12)16(19)22/h2-7,18H,8H2,1H3