ethyl 4-[3-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2,5-diphenyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2,5-diphenylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C36H29N3O3 MolecularWeight: 551.63376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=NN(C4=O)C5=CC=CC=C5)C)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)/C=C/4\C(=NN(C4=O)C5=CC=CC=C5)C)C6=CC=CC=C6

InChI

InChI=1S/C36H29N3O3/c1-3-42-36(41)28-19-21-30(22-20-28)38-33(26-13-7-4-8-14-26)24-29(34(38)27-15-9-5-10-16-27)23-32-25(2)37-39(35(32)40)31-17-11-6-12-18-31/h4-24H,3H2,1-2H3/b32-23+