| SpectraBase Spectrum ID |
xmOIhJIrHN |
| Name |
4''-Nitrotris(N-methylpyrrole)-2-carboxyloic acid |
| Alternate Name(s) |
1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxylic acid
1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid
1-methyl-4-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolecarboxylic acid
1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid |
| CAS Registry Number |
67974-03-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18N6O6 |
| InChI |
InChI=1S/C18H18N6O6/c1-21-7-10(19-17(26)14-6-12(24(29)30)9-23(14)3)4-13(21)16(25)20-11-5-15(18(27)28)22(2)8-11/h4-9H,1-3H3,(H,19,26)(H,20,25)(H,27,28) |
| InChIKey |
QGBSUPQOOBPONH-UHFFFAOYSA-N |
| Molecular Weight |
414.378 g/mol |
| SMILES |
N(c1c[n](c(C(=O)Nc2c[n](c(C(=O)O)c2)C)c1)C)C(=O)c1[n](cc(c1)N(=O)=O)C |
| SPLASH |
splash10-00b9-0096000000-24080571c3a3c370f393 |
| Source of Spectrum |
C3-24-43-8 |
| Wiley ID |
879819 |
