N-methyl-2-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-methyl-2-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-methyl-2-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-methyl-2-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-2-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1CC2=CC=CC=C2CN1CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-21-18(25)16-9-12-5-2-3-6-13(12)10-22(16)11-23-19(26)14-7-4-8-15(24(28)29)17(14)20(23)27/h2-8,16H,9-11H2,1H3,(H,21,25)