(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[4-(1-piperidyl)phenyl]prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[4-(1-piperidinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-piperidinophenyl)acrylamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H21N3O5/c25-21(22-16-5-7-17(8-6-16)23-10-2-1-3-11-23)9-4-15-12-19-20(29-14-28-19)13-18(15)24(26)27/h4-9,12-13H,1-3,10-11,14H2,(H,22,25)/b9-4+