(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H15Cl2N3O4 MolecularWeight: 432.2568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H15Cl2N3O4/c1-13-16(20(22)24(23-13)15-5-3-2-4-6-15)12-29-19(26)10-8-14-7-9-17(21)18(11-14)25(27)28/h2-11H,12H2,1H3/b10-8+