N-(5-bromanyl-2-methyl-phenyl)-N-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]ethanamide

Systemtic Name: N-(5-bromanyl-2-methyl-phenyl)-N-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]ethanamide Openeye Name: N-(5-bromo-2-methyl-phenyl)-N-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]acetamide CAS Name: N-(5-bromo-2-methylphenyl)-N-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]acetamide IUPAC Name: N-(5-bromo-2-methylphenyl)-N-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]acetamide Traditional Name: N-(5-bromo-2-methyl-phenyl)-N-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]acetamide Formula: C18H14BrN3O5 MolecularWeight: 432.22486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)N(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Br)N(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C18H14BrN3O5/c1-10-3-4-12(19)7-16(10)20(11(2)23)9-21-17(24)14-6-5-13(22(26)27)8-15(14)18(21)25/h3-8H,9H2,1-2H3