methyl 4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonyloxy-3-methoxy-benzoate

Systemtic Name: methyl 4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonyloxy-3-methoxy-benzoate Openeye Name: methyl 4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]oxy-3-methoxy-benzoate CAS Name: 4-[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]oxy-3-methoxybenzoate Traditional Name: 4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]oxy-3-methoxy-benzoic acid methyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=O)OC)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=O)OC)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7/c1-13-20(25(28)29)14(2)24(23-13)12-15-5-7-16(8-6-15)22(27)32-18-10-9-17(21(26)31-4)11-19(18)30-3/h5-11H,12H2,1-4H3