![Methyl 3-nitro-4-[(5-methyl-1H-pyrazol-3-yl)amino]benzoate](/api/spectrum/5QSTzgOFOrd/structure.png?h=300&w=458 "Methyl 3-nitro-4-[(5-methyl-1H-pyrazol-3-yl)amino]benzoate")
| SpectraBase Compound ID | JDZRnoH2n0m |
|---|---|
| InChI | InChI=1S/C12H12N4O4/c1-7-5-11(15-14-7)13-9-4-3-8(12(17)20-2)6-10(9)16(18)19/h3-6H,1-2H3,(H2,13,14,15) |
| InChIKey | WLTOCHUUCWQCFL-UHFFFAOYSA-N |
| Mol Weight | 276.25 g/mol |
| Molecular Formula | C12H12N4O4 |
| Exact Mass | 276.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QSTzgOFOrd |
|---|---|
| Name | Methyl 3-nitro-4-[(5-methyl-1H-pyrazol-3-yl)amino]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.085854878 u |
| Formula | C12H12N4O4 |
| InChI | InChI=1S/C12H12N4O4/c1-7-5-11(15-14-7)13-9-4-3-8(12(17)20-2)6-10(9)16(18)19/h3-6H,1-2H3,(H2,13,14,15) |
| InChIKey | WLTOCHUUCWQCFL-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(NC2=NNC(=C2)C)=CC=C(C1)C(=O)OC |