[2-chloranyl-6-ethoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 3-methoxybenzoate

Systemtic Name: [2-chloranyl-6-ethoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 3-methoxybenzoate Openeye Name: [2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-chloro-6-ethoxy-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C27H23ClN2O5 MolecularWeight: 490.93492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H23ClN2O5/c1-4-34-24-15-18(13-22-17(2)29-30(26(22)31)20-10-6-5-7-11-20)14-23(28)25(24)35-27(32)19-9-8-12-21(16-19)33-3/h5-16H,4H2,1-3H3/b22-13+