(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-N-(2-methyl-4-nitro-phenyl)pentanamide

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-N-(2-methyl-4-nitro-phenyl)pentanamide Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-N-(2-methyl-4-nitro-phenyl)pentanamide CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide Traditional Name: (2S)-4-methyl-N-(2-methyl-4-nitro-phenyl)-2-phthalimido-valeramide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O5/c1-12(2)10-18(23-20(26)15-6-4-5-7-16(15)21(23)27)19(25)22-17-9-8-14(24(28)29)11-13(17)3/h4-9,11-12,18H,10H2,1-3H3,(H,22,25)/t18-/m0/s1