[1-(4-chlorophenyl)-5-cyano-3-ethoxycarbonyl-6-oxidanylidene-pyridazin-4-ylidene]azanium

Systemtic Name: [1-(4-chlorophenyl)-5-cyano-3-ethoxycarbonyl-6-oxidanylidene-pyridazin-4-ylidene]azanium Openeye Name: [1-(4-chlorophenyl)-5-cyano-3-ethoxycarbonyl-6-oxo-pyridazin-4-ylidene]ammonium CAS Name: [1-(4-chlorophenyl)-5-cyano-3-ethoxycarbonyl-6-oxo-4-pyridazinylidene]ammonium IUPAC Name: [1-(4-chlorophenyl)-5-cyano-3-ethoxycarbonyl-6-oxopyridazin-4-ylidene]azanium Traditional Name: [3-carbethoxy-1-(4-chlorophenyl)-5-cyano-6-keto-pyridazin-4-ylidene]ammonium Formula: C14H12ClN4O3+ MolecularWeight: 319.72308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C(C1=[NH2+])C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C(C1=[NH2+])C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClN4O3/c1-2-22-14(21)12-11(17)10(7-16)13(20)19(18-12)9-5-3-8(15)4-6-9/h3-6,10,17H,2H2,1H3/p+1