diethyl 3-ethoxy-5-methylidene-4-[(4-nitrophenyl)methyl]pyrazole-1,4-dicarboxylate

Systemtic Name: diethyl 3-ethoxy-5-methylidene-4-[(4-nitrophenyl)methyl]pyrazole-1,4-dicarboxylate Openeye Name: diethyl 3-ethoxy-5-methylene-4-[(4-nitrophenyl)methyl]pyrazole-1,4-dicarboxylate CAS Name: 3-ethoxy-5-methylene-4-[(4-nitrophenyl)methyl]pyrazole-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-ethoxy-5-methylidene-4-[(4-nitrophenyl)methyl]pyrazole-1,4-dicarboxylate Traditional Name: 3-ethoxy-5-methylene-4-(4-nitrobenzyl)-2-pyrazoline-1,4-dicarboxylic acid diethyl ester Formula: C19H23N3O7 MolecularWeight: 405.40182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=C)C1(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=NN(C(=C)C1(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C19H23N3O7/c1-5-27-16-19(17(23)28-6-2,13(4)21(20-16)18(24)29-7-3)12-14-8-10-15(11-9-14)22(25)26/h8-11H,4-7,12H2,1-3H3