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

Systemtic Name: N-(4-tert-butylphenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(4-tert-butylphenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(4-tert-butylphenyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(4-tert-butylphenyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-12(18(25)22-14-10-8-13(9-11-14)21(2,3)4)23-19(26)15-6-5-7-16(24(28)29)17(15)20(23)27/h5-12H,1-4H3,(H,22,25)