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

Systemtic Name: [4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 2-methylbenzoate Openeye Name: [4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-keto-3-(1-phenylpyrazol-4-yl)chromen-7-yl] ester Formula: C26H18N2O4 MolecularWeight: 422.43212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H18N2O4/c1-17-7-5-6-10-21(17)26(30)32-20-11-12-22-24(13-20)31-16-23(25(22)29)18-14-27-28(15-18)19-8-3-2-4-9-19/h2-16H,1H3