4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-propan-2-yl-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-propan-2-yl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-1-isopropyl-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-5-oxo-1-propan-2-yl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-5-oxo-1-propan-2-yl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-1-isopropyl-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C23H21ClN4O3 MolecularWeight: 436.89084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C(C)C)[O-])[N+]3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C(C)C)[O-])[N+]3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H21ClN4O3/c1-4-17-18(22(30)28(25-17)16-10-8-9-15(24)13-16)19-20(26-11-6-5-7-12-26)23(31)27(14(2)3)21(19)29/h5-14H,4H2,1-3H3