| SpectraBase Spectrum ID |
HDA4e3u2gXM |
| Name |
1-[(2-cyanoacetyl)amino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18N4O4 |
| InChI |
InChI=1S/C18H18N4O4/c1-11-15(17(24)20-13-7-5-4-6-8-13)16(18(25)26-3)12(2)22(11)21-14(23)9-10-19/h4-8H,9H2,1-3H3,(H,20,24)(H,21,23) |
| InChIKey |
NSFBVKMMZGAJML-UHFFFAOYSA-N |
| Molecular Weight |
354.366 g/mol |
| SMILES |
N([n]1c(c(c(C(Nc2ccccc2)=O)c1C)C(=O)OC)C)C(CC#N)=O |
| SPLASH |
splash10-03di-0091000000-fe88f683b5d7c6ef9627 |
| Source of Spectrum |
D1-1999-1369-6 |
| Synonyms |
4-[anilino(oxo)methyl]-1-[(2-cyano-1-oxoethyl)amino]-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester
methyl 1-(2-cyanoethanoylamino)-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate
methyl 1-[(2-cyanoacetyl)amino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate |
| Wiley ID |
835367 |
![1-[(2-cyanoacetyl)amino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylic acid methyl ester](/api/spectrum/HDA4e3u2gXM/structure.png?h=300&w=458 "1-[(2-cyanoacetyl)amino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylic acid methyl ester")
