N-tert-butyl-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-tert-butyl-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-tert-butyl-4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-tert-butyl-4-(5-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-tert-butyl-4-(5-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-tert-butyl-4-(1,3-diketo-5-nitro-isoindolin-2-yl)butyramide Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-16(2,3)17-13(20)5-4-8-18-14(21)11-7-6-10(19(23)24)9-12(11)15(18)22/h6-7,9H,4-5,8H2,1-3H3,(H,17,20)