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

Systemtic Name: ethyl 5-(4-methylphenyl)carbonyl-2-nitroso-4-phenyl-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 5-(4-methylbenzoyl)-2-nitroso-4-phenyl-3,4-dihydropyrazole-3-carboxylate CAS Name: 5-[(4-methylphenyl)-oxomethyl]-2-nitroso-4-phenyl-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylbenzoyl)-2-nitroso-4-phenyl-3,4-dihydropyrazole-3-carboxylate Traditional Name: 2-nitroso-4-phenyl-5-p-toluoyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-3-27-20(25)18-16(14-7-5-4-6-8-14)17(21-23(18)22-26)19(24)15-11-9-13(2)10-12-15/h4-12,16,18H,3H2,1-2H3