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

Systemtic Name: 1-[3-[[2-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[3-[2-(azaniumylmethyl)anilino]-3-oxo-propyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[3-[2-(ammoniomethyl)anilino]-3-oxopropyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[3-[2-(azaniumylmethyl)anilino]-3-oxopropyl]-6-oxopyridazin-3-olate Traditional Name: 1-[3-[2-(ammoniomethyl)anilino]-3-keto-propyl]-6-keto-pyridazin-3-olate Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH3+])NC(=O)CCN2C(=O)C=CC(=N2)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C[NH3+])NC(=O)CCN2C(=O)C=CC(=N2)[O-]

InChI

InChI=1S/C14H16N4O3/c15-9-10-3-1-2-4-11(10)16-12(19)7-8-18-14(21)6-5-13(20)17-18/h1-6H,7-9,15H2,(H,16,19)(H,17,20)