dimethyl 5-(2-oxidanylidenechromen-4-yl)-2-phenyl-3,4-dihydropyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 5-(2-oxidanylidenechromen-4-yl)-2-phenyl-3,4-dihydropyrazole-3,4-dicarboxylate Openeye Name: dimethyl 5-(2-oxochromen-4-yl)-2-phenyl-3,4-dihydropyrazole-3,4-dicarboxylate CAS Name: 5-(2-oxo-1-benzopyran-4-yl)-2-phenyl-3,4-dihydropyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-oxochromen-4-yl)-2-phenyl-3,4-dihydropyrazole-3,4-dicarboxylate Traditional Name: 5-(2-ketochromen-4-yl)-2-phenyl-2-pyrazoline-3,4-dicarboxylic acid dimethyl ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(N=C1C2=CC(=O)OC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1C(N(N=C1C2=CC(=O)OC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H18N2O6/c1-28-21(26)18-19(15-12-17(25)30-16-11-7-6-10-14(15)16)23-24(20(18)22(27)29-2)13-8-4-3-5-9-13/h3-12,18,20H,1-2H3