[4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 2-chloranylbenzoate

Systemtic Name: [4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 2-chloranylbenzoate Openeye Name: [4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-keto-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ester Formula: C25H15ClN2O4 MolecularWeight: 442.8506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C3=COC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C3=COC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H15ClN2O4/c26-22-9-5-4-8-19(22)25(30)32-18-10-11-20-23(12-18)31-15-21(24(20)29)16-13-27-28(14-16)17-6-2-1-3-7-17/h1-15H