1-[2-[[4-(azaniumylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[2-[[4-(azaniumylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[2-[4-(azaniumylmethyl)anilino]-2-oxo-ethyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[2-[4-(ammoniomethyl)anilino]-2-oxoethyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[2-[4-(azaniumylmethyl)anilino]-2-oxoethyl]-6-oxopyridazin-3-olate Traditional Name: 1-[2-[4-(ammoniomethyl)anilino]-2-keto-ethyl]-6-keto-pyridazin-3-olate Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH3+])NC(=O)CN2C(=O)C=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH3+])NC(=O)CN2C(=O)C=CC(=N2)[O-]

InChI

InChI=1S/C13H14N4O3/c14-7-9-1-3-10(4-2-9)15-12(19)8-17-13(20)6-5-11(18)16-17/h1-6H,7-8,14H2,(H,15,19)(H,16,18)