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

Systemtic Name: (4-nitrophenyl)methyl 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-nitrophenyl)methyl 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: 3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (4-nitrobenzyl) ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4/c1-15-19(21(22)24(23-15)13-16-5-3-2-4-6-16)11-12-20(26)29-14-17-7-9-18(10-8-17)25(27)28/h2-12H,13-14H2,1H3