2-(4-methanoylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(4-methanoylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(4-formyl-1-piperazinyl)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-(4-formylpiperazino)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCN(CC4)C=O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCN(CC4)C=O

InChI

InChI=1S/C21H22N4O7/c1-30-15-4-2-14(3-5-15)22-21(27)20(24-8-6-23(12-26)7-9-24)16-10-18-19(32-13-31-18)11-17(16)25(28)29/h2-5,10-12,20H,6-9,13H2,1H3,(H,22,27)