methyl (4Z)-5-[(4-nitrophenyl)methyl]-4-(phenylmethylidene)-3H-pyrazole-5-carboxylate

Systemtic Name: methyl (4Z)-5-[(4-nitrophenyl)methyl]-4-(phenylmethylidene)-3H-pyrazole-5-carboxylate Openeye Name: methyl (4Z)-4-benzylidene-5-[(4-nitrophenyl)methyl]-3H-pyrazole-5-carboxylate CAS Name: (4Z)-5-[(4-nitrophenyl)methyl]-4-(phenylmethylene)-3H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-benzylidene-5-[(4-nitrophenyl)methyl]-3H-pyrazole-5-carboxylate Traditional Name: (4Z)-4-benzal-3-(4-nitrobenzyl)-1-pyrazoline-3-carboxylic acid methyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(=CC2=CC=CC=C2)CN=N1)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(/C(=C\C2=CC=CC=C2)/CN=N1)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c1-26-18(23)19(12-15-7-9-17(10-8-15)22(24)25)16(13-20-21-19)11-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3/b16-11-