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

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[2-(4-ethylpiperazino)phenyl]acetamide Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-2-24-10-12-25(13-11-24)17-8-4-3-7-16(17)23-19(28)14-26-21(29)15-6-5-9-18(27(31)32)20(15)22(26)30/h3-9H,2,10-14H2,1H3,(H,23,28)