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

Systemtic Name: 2-[3-[2-[2-(4-nitropyrazol-1-yl)ethanoylamino]ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]ethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylamino]propyl]pyrazole-3-carboxylic acid Formula: C14H17N7O6 MolecularWeight: 379.32808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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