ethyl 4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-7-propoxy-chromene-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-7-propoxy-chromene-2-carboxylate Openeye Name: ethyl 4-oxo-3-(1-phenylpyrazol-4-yl)-7-propoxy-chromene-2-carboxylate CAS Name: 4-oxo-3-(1-phenyl-4-pyrazolyl)-7-propoxy-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-(1-phenylpyrazol-4-yl)-7-propoxychromene-2-carboxylate Traditional Name: 4-keto-3-(1-phenylpyrazol-4-yl)-7-propoxy-chromene-2-carboxylic acid ethyl ester Formula: C24H22N2O5 MolecularWeight: 418.44188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O5/c1-3-12-30-18-10-11-19-20(13-18)31-23(24(28)29-4-2)21(22(19)27)16-14-25-26(15-16)17-8-6-5-7-9-17/h5-11,13-15H,3-4,12H2,1-2H3