2-[4-[2-[2-(4-nitropyrazol-1-yl)ethanoylamino]ethylcarbamoyl]pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[2-(4-nitropyrazol-1-yl)ethanoylamino]ethylcarbamoyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylcarbamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[[2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]ethylamino]-oxomethyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylcarbamoyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylcarbamoyl]pyrazol-1-yl]acetic acid Formula: C13H15N7O6 MolecularWeight: 365.3015

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CC(=O)O)C(=O)NCCNC(=O)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NN1CC(=O)O)C(=O)NCCNC(=O)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O6/c21-11(7-19-6-10(4-17-19)20(25)26)14-1-2-15-13(24)9-3-16-18(5-9)8-12(22)23/h3-6H,1-2,7-8H2,(H,14,21)(H,15,24)(H,22,23)