ethyl 1-(4-methylphenyl)-5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)-5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-1-(4-methylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-1-(p-tolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)NC(=C(C3=CC=CC=C3)NO)N=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)N/C(=C(/C3=CC=CC=C3)\NO)/N=O

InChI

InChI=1S/C21H21N5O4/c1-3-30-21(27)17-13-22-26(16-11-9-14(2)10-12-16)20(17)23-19(25-29)18(24-28)15-7-5-4-6-8-15/h4-13,23-24,28H,3H2,1-2H3/b19-18+