2-[(E)-1-cyanoprop-1-en-2-yl]-N-(2-methyl-3-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-[(E)-1-cyanoprop-1-en-2-yl]-N-(2-methyl-3-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-[(E)-2-cyano-1-methyl-vinyl]-N-(2-methyl-3-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-[(E)-1-cyanoprop-1-en-2-yl]-N-(2-methyl-3-nitrophenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-[(E)-1-cyanoprop-1-en-2-yl]-N-(2-methyl-3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-[(E)-2-cyano-1-methyl-vinyl]-1,3-diketo-N-(2-methyl-3-nitro-phenyl)isoindoline-5-carboxamide Formula: C20H14N4O5 MolecularWeight: 390.34896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(=CC#N)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)/C(=C/C#N)/C

InChI

InChI=1S/C20H14N4O5/c1-11(8-9-21)23-19(26)14-7-6-13(10-15(14)20(23)27)18(25)22-16-4-3-5-17(12(16)2)24(28)29/h3-8,10H,1-2H3,(H,22,25)/b11-8+