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

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-tert-butyl-benzamide Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-tert-butyl-benzamide CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-N-tert-butylbenzamide IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-tert-butylbenzamide Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-N-tert-butyl-benzamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)23-20(25)15-6-4-5-7-16(15)22-19(24)11-9-14-8-10-17-18(12-14)27-13-26-17/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+