1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C27H26Cl2N4O3 MolecularWeight: 525.42634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC(=C4)C)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC(=C4)C)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H26Cl2N4O3/c1-3-21-22(26(35)33(30-21)18-11-12-19(28)20(29)14-18)23-24(31-13-7-8-16(2)15-31)27(36)32(25(23)34)17-9-5-4-6-10-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3