SpectraBase Spectrum ID |
1QrfmolNUlk |
Name |
6-(6-Acetyl-benzo[1,3]dioxol-5-ylcarbamoyl)-cyclohex-3-enecarboxylic acid |
Alternate Name(s) |
6-([(6-Acetyl-1,3-benzodioxol-5-yl)amino]carbonyl)-3-cyclohexene-1-carboxylic acid
6-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C17H17NO6 |
InChI |
InChI=1S/C17H17NO6/c1-9(19)12-6-14-15(24-8-23-14)7-13(12)18-16(20)10-4-2-3-5-11(10)17(21)22/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,20)(H,21,22) |
InChIKey |
DXCJOVYKWBFLDA-UHFFFAOYSA-N |
Molecular Weight |
331.324 g/mol |
SMILES |
N(C(C1C(C(O)=O)CC=CC1)=O)c1c(cc2c(c1)OCO2)C(C)=O |
SPLASH |
splash10-004i-6900000000-3c5890ebcf50c9c63e74 |
Wiley ID |
1462640 |