[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: [4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: [4-(2-methoxy-2-oxo-ethyl)phenyl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid [4-(2-methoxy-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-methoxy-2-oxoethyl)phenyl] 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid [4-(2-keto-2-methoxy-ethyl)phenyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c1-14-21(25(28)29)15(2)24(23-14)13-17-4-8-18(9-5-17)22(27)31-19-10-6-16(7-11-19)12-20(26)30-3/h4-11H,12-13H2,1-3H3