N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acetamide Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5/c1-24-11-10-22-19(24)18(13-6-3-2-4-7-13)23-16(27)12-25-20(28)14-8-5-9-15(26(30)31)17(14)21(25)29/h2-11,18H,12H2,1H3,(H,23,27)