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

Systemtic Name: N-(2-methylbutan-2-yl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(1,1-dimethylpropyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-methylbutan-2-yl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2-methylbutan-2-yl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-tert-amyl-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-4-16(2,3)17-12(20)8-9-18-14(21)10-6-5-7-11(19(23)24)13(10)15(18)22/h5-7H,4,8-9H2,1-3H3,(H,17,20)