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

Systemtic Name: (4-nitrophenyl)methyl 3-[5-chloranyl-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-nitrophenyl)methyl 3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-4-pyrazolyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-(5-chloro-1-m-anisyl-3-methyl-pyrazol-4-yl)acrylic acid (4-nitrobenzyl) ester Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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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)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H20ClN3O5/c1-15-20(22(23)25(24-15)13-17-4-3-5-19(12-17)30-2)10-11-21(27)31-14-16-6-8-18(9-7-16)26(28)29/h3-12H,13-14H2,1-2H3