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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1C(=O)O)CCC(=O)NCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1C(=O)O)CCC(=O)NCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O5/c19-11(2-5-16-4-1-10(15-16)12(20)21)13-3-6-17-8-9(7-14-17)18(22)23/h1,4,7-8H,2-3,5-6H2,(H,13,19)(H,20,21)