1-[3-[2-(4-nitropyrazol-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[2-(4-nitropyrazol-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[2-(4-nitropyrazol-1-yl)ethylamino]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[2-(4-nitro-1-pyrazolyl)ethylamino]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[2-(4-nitropyrazol-1-yl)ethylamino]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-keto-3-[2-(4-nitropyrazol-1-yl)ethylamino]propyl]pyrazole-4-carboxylic acid Formula: C12H14N6O5 MolecularWeight: 322.27676

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CCC(=O)NCCN2C=C(C=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C=NN1CCC(=O)NCCN2C=C(C=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N6O5/c19-11(1-3-16-7-9(5-14-16)12(20)21)13-2-4-17-8-10(6-15-17)18(22)23/h5-8H,1-4H2,(H,13,19)(H,20,21)