ethyl 4-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzoate

Systemtic Name: ethyl 4-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzoate Openeye Name: ethyl 4-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoate CAS Name: 4-[[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylideneamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzoate Traditional Name: 4-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzoic acid ethyl ester Formula: C28H21N3O4 MolecularWeight: 463.48404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=CC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O4/c1-2-34-27(32)19-12-14-22(15-13-19)29-17-21-18-31(23-9-4-3-5-10-23)30-26(21)24-16-20-8-6-7-11-25(20)35-28(24)33/h3-18H,2H2,1H3