N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-nitrophenyl)acryloyl]isonipecotamide Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c26-21(7-4-15-2-1-3-18(12-15)25(28)29)24-10-8-16(9-11-24)22(27)23-17-5-6-19-20(13-17)31-14-30-19/h1-7,12-13,16H,8-11,14H2,(H,23,27)/b7-4+