ethyl 4-[5-[(Z)-[1-(5-chloranyl-2-nitro-phenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(Z)-[1-(5-chloranyl-2-nitro-phenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(Z)-[1-(5-chloro-2-nitro-phenyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-[1-(5-chloro-2-nitrophenyl)-5-oxo-3-phenyl-4-pyrazolylidene]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(Z)-[1-(5-chloro-2-nitrophenyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-[1-(5-chloro-2-nitro-phenyl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]methyl]-2-furyl]benzoic acid ethyl ester Formula: C29H20ClN3O6 MolecularWeight: 541.9386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H20ClN3O6/c1-2-38-29(35)20-10-8-18(9-11-20)26-15-13-22(39-26)17-23-27(19-6-4-3-5-7-19)31-32(28(23)34)25-16-21(30)12-14-24(25)33(36)37/h3-17H,2H2,1H3/b23-17-