4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide

Systemtic Name: 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(2-hydroxy-5-nitro-benzyl)butyramide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H19N3O6/c1-12-4-6-15-16(9-12)20(27)22(19(15)26)8-2-3-18(25)21-11-13-10-14(23(28)29)5-7-17(13)24/h4-7,9-10,24H,2-3,8,11H2,1H3,(H,21,25)