(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H18ClN3O6 MolecularWeight: 431.82642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O6/c1-12-15(19(21)23(22-12)13-7-5-4-6-8-13)11-30-20(25)14-9-17(28-2)18(29-3)10-16(14)24(26)27/h4-10H,11H2,1-3H3