3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]propanamide CAS Name: 3-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]amino]propionamide Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c21-16(25)9-10-22(11-13-5-2-1-3-6-13)17(26)12-23-19(27)14-7-4-8-15(24(29)30)18(14)20(23)28/h1-8H,9-12H2,(H2,21,25)