ethyl 3-methyl-1-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-1-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[(2-nitrophenyl)methyl]-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-1-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3-methyl-5-(2-nitrobenzyl)-1-(p-tolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C)CC3=CC=CC=C3[N+](=O)[O-]

InChI

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