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

Systemtic Name: ethyl 1-(4-chlorophenyl)-3-methyl-5-[(2-nitrophenyl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-chlorophenyl)-3-methyl-5-[(2-nitrophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-[(2-nitrophenyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chlorophenyl)-3-methyl-5-[(2-nitrophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-5-(2-nitrobenzyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-3-28-20(25)19-13(2)22-23(16-10-8-15(21)9-11-16)18(19)12-14-6-4-5-7-17(14)24(26)27/h4-11H,3,12H2,1-2H3