N-(4-methylphenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-methylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(p-tolyl)propionamide Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-10-6-8-12(9-7-10)19-16(22)11(2)20-17(23)13-4-3-5-14(21(25)26)15(13)18(20)24/h3-9,11H,1-2H3,(H,19,22)