N-(2-methyl-6-propan-2-yl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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