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

Systemtic Name: N-cyclohexyl-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-cyclohexyl-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-cyclohexyl-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-cyclohexyl-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-cyclohexyl-4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyramide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c22-15(19-12-6-2-1-3-7-12)10-5-11-20-17(23)13-8-4-9-14(21(25)26)16(13)18(20)24/h4,8-9,12H,1-3,5-7,10-11H2,(H,19,22)