N-tert-butyl-4-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide

Systemtic Name: N-tert-butyl-4-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide Openeye Name: N-tert-butyl-4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide CAS Name: N-tert-butyl-4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: N-tert-butyl-4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide Traditional Name: N-tert-butyl-4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]amino]benzamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C21H21ClN2O4/c1-21(2,3)24-20(26)14-5-7-15(8-6-14)23-18(25)9-4-13-10-16(22)19-17(11-13)27-12-28-19/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26)/b9-4+