N-[3-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]-3-keto-propyl]-4-nitro-benzamide Formula: C22H22N4O7 MolecularWeight: 454.43268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(N(C1)C(=O)CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O7/c27-20(8-9-23-22(29)16-3-5-17(6-4-16)26(30)31)24-10-1-11-25(24)21(28)13-15-2-7-18-19(12-15)33-14-32-18/h2-7,12H,1,8-11,13-14H2,(H,23,29)