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

Systemtic Name: ethyl 7-oxidanyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate Openeye Name: ethyl 7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate CAS Name: 7-hydroxy-4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate Traditional Name: 7-hydroxy-4-keto-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylic acid ethyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O5/c1-2-27-21(26)20-18(19(25)16-9-8-15(24)10-17(16)28-20)13-11-22-23(12-13)14-6-4-3-5-7-14/h3-12,24H,2H2,1H3