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

Systemtic Name: 1-[3-[[3-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[3-[3-(azaniumylmethyl)anilino]-3-oxo-propyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[3-[3-(ammoniomethyl)anilino]-3-oxopropyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[3-[3-(azaniumylmethyl)anilino]-3-oxopropyl]-6-oxopyridazin-3-olate Traditional Name: 1-[3-[3-(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(=CC(=C1)NC(=O)CCN2C(=O)C=CC(=N2)[O-])C[NH3+]

Isomeric SMILES

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

InChI

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