N-butan-2-yl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide

Systemtic Name: N-butan-2-yl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide Openeye Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide Traditional Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]-N-sec-butyl-benzamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C21H21N3O6/c1-3-13(2)22-21(26)15-6-4-5-7-16(15)23-20(25)9-8-14-10-18-19(30-12-29-18)11-17(14)24(27)28/h4-11,13H,3,12H2,1-2H3,(H,22,26)(H,23,25)/b9-8+