4-(4-chloranyl-5-cyano-2-methyl-3-oxidanylidene-pyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate

Systemtic Name: 4-(4-chloranyl-5-cyano-2-methyl-3-oxidanylidene-pyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate Openeye Name: 4-(4-chloro-5-cyano-2-methyl-3-oxo-pyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate CAS Name: benzoic acid 4-(4-chloro-5-cyano-2-methyl-3-oxo-7-pyrrolo[2,3-c]pyridazinyl)butyl ester IUPAC Name: 4-(4-chloro-5-cyano-2-methyl-3-oxopyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate Traditional Name: benzoic acid 4-(4-chloro-5-cyano-3-keto-2-methyl-pyrrolo[2,3-c]pyridazin-7-yl)butyl ester Formula: C19H17ClN4O3 MolecularWeight: 384.81628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2C(=CN(C2=N1)CCCCOC(=O)C3=CC=CC=C3)C#N)Cl

Isomeric SMILES

CN1C(=O)C(=C2C(=CN(C2=N1)CCCCOC(=O)C3=CC=CC=C3)C#N)Cl

InChI

InChI=1S/C19H17ClN4O3/c1-23-18(25)16(20)15-14(11-21)12-24(17(15)22-23)9-5-6-10-27-19(26)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3