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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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