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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O5/c1-3-13-7-4-6-12(2)18(13)21-16(24)10-11-22-19(25)14-8-5-9-15(23(27)28)17(14)20(22)26/h4-9H,3,10-11H2,1-2H3,(H,21,24)