2-[[(4-iodanyl-2-methyl-phenyl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(4-iodanyl-2-methyl-phenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-iodo-2-methyl-anilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-iodo-2-methylanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-iodo-2-methylanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(4-iodo-2-methyl-anilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H12IN3O4 MolecularWeight: 437.18865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12IN3O4/c1-9-6-10(17)2-5-14(9)18-8-19-15(21)12-4-3-11(20(23)24)7-13(12)16(19)22/h2-7,18H,8H2,1H3