(4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate

Systemtic Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1-(m-tolyl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-3-(3-ethyl-1-pyridin-1-iumyl)-1-(3-methylphenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C30H28N4O3 MolecularWeight: 492.56832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=CC(=C5)C)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=CC(=C5)C)[O-]

InChI

InChI=1S/C30H28N4O3/c1-5-21-12-10-16-32(18-21)27-25(28(35)33(30(27)37)23-15-9-11-20(4)17-23)24-26(19(2)3)31-34(29(24)36)22-13-7-6-8-14-22/h6-19H,5H2,1-4H3