SpectraBase Spectrum ID |
3ANmqLAp9rV |
Name |
4-[(6-Amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carbonyl)amino]benzoic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H14N4O3 |
InChI |
InChI=1S/C16H14N4O3/c17-8-11-12-2-1-7-20(12)14(13(11)18)15(21)19-10-5-3-9(4-6-10)16(22)23/h3-6H,1-2,7,18H2,(H,19,21)(H,22,23) |
InChIKey |
RWBMZYOEMMCGNT-UHFFFAOYSA-N |
Molecular Weight |
310.313 g/mol |
SMILES |
Nc1c(c2[n](c1C(Nc1ccc(C(=O)O)cc1)=O)CCC2)C#N |
SPLASH |
splash10-00xr-4901000000-d8f3c87e8738ca4eac04 |
Source of Spectrum |
F2-45-487-9f |
Synonyms |
4-[[(2-amino-1-cyano-6,7-dihydro-5H-pyrrolizin-3-yl)-oxomethyl]amino]benzoic acid
4-[(2-azanyl-1-cyano-6,7-dihydro-5H-pyrrolizin-3-yl)carbonylamino]benzoic acid |
Wiley ID |
1689083 |