3-[5-[2-[2-(4-nitropyrazol-1-yl)ethanoylamino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[2-[2-(4-nitropyrazol-1-yl)ethanoylamino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]ethylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylcarbamoyl]pyrazol-1-yl]propionic acid Formula: C14H17N7O6 MolecularWeight: 379.32808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N7O6/c22-12(9-19-8-10(7-18-19)21(26)27)15-4-5-16-14(25)11-1-3-17-20(11)6-2-13(23)24/h1,3,7-8H,2,4-6,9H2,(H,15,22)(H,16,25)(H,23,24)