methyl 2-methyl-6-(4-methyl-3-oxidanylidene-spiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate

Systemtic Name: methyl 2-methyl-6-(4-methyl-3-oxidanylidene-spiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate Openeye Name: methyl 2-methyl-6-(7'-methyl-1'-oxo-spiro[3,4-dihydropyrazole-5,2'-indane]-4-yl)benzoate CAS Name: 2-methyl-6-(4-methyl-3-oxo-4'-spiro[1H-indene-2,5'-3,4-dihydropyrazole]yl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-6-(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)-6-methyl-benzoic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)C3(C2)C(CN=N3)C4=C(C(=CC=C4)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1C(=O)C3(C2)C(CN=N3)C4=C(C(=CC=C4)C)C(=O)OC

InChI

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