(4-nitrophenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylic acid (4-nitrobenzyl) ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(C)C

InChI

InChI=1S/C18H20ClN3O4/c1-12(2)10-21-18(19)16(13(3)20-21)8-9-17(23)26-11-14-4-6-15(7-5-14)22(24)25/h4-9,12H,10-11H2,1-3H3/b9-8+