ethyl 4-(4-methylphenyl)-5-(4-methylphenyl)carbonyl-2-nitroso-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-5-(4-methylphenyl)carbonyl-2-nitroso-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 5-(4-methylbenzoyl)-2-nitroso-4-(p-tolyl)-3,4-dihydropyrazole-3-carboxylate CAS Name: 4-(4-methylphenyl)-5-[(4-methylphenyl)-oxomethyl]-2-nitroso-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylbenzoyl)-4-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole-3-carboxylate Traditional Name: 2-nitroso-5-p-toluoyl-4-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NN1N=O)C(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1C(C(=NN1N=O)C(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O4/c1-4-28-21(26)19-17(15-9-5-13(2)6-10-15)18(22-24(19)23-27)20(25)16-11-7-14(3)8-12-16/h5-12,17,19H,4H2,1-3H3