methyl 5-methyl-2-(4-methyl-3-oxidanylidene-spiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate

Systemtic Name: methyl 5-methyl-2-(4-methyl-3-oxidanylidene-spiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate Openeye Name: methyl 5-methyl-2-(7'-methyl-1'-oxo-spiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)benzoate CAS Name: 5-methyl-2-(4-methyl-3-oxo-4'-spiro[1H-indene-2,5'-3,4-dihydropyrazole]yl)benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate Traditional Name: 2-(1'-keto-7'-methyl-spiro[1-pyrazoline-3,2'-indane]-4-yl)-5-methyl-benzoic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CN=NC23CC4=C(C3=O)C(=CC=C4)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C2CN=NC23CC4=C(C3=O)C(=CC=C4)C)C(=O)OC

InChI

InChI=1S/C21H20N2O3/c1-12-7-8-15(16(9-12)20(25)26-3)17-11-22-23-21(17)10-14-6-4-5-13(2)18(14)19(21)24/h4-9,17H,10-11H2,1-3H3