methyl 2,2-dimethoxy-2-[3-(2-methylpropyl)-4-nitro-phenyl]ethanoate

Systemtic Name: methyl 2,2-dimethoxy-2-[3-(2-methylpropyl)-4-nitro-phenyl]ethanoate Openeye Name: methyl 2-(3-isobutyl-4-nitro-phenyl)-2,2-dimethoxy-acetate CAS Name: 2,2-dimethoxy-2-[3-(2-methylpropyl)-4-nitrophenyl]acetic acid methyl ester IUPAC Name: methyl 2,2-dimethoxy-2-[3-(2-methylpropyl)-4-nitrophenyl]acetate Traditional Name: 2-(3-isobutyl-4-nitro-phenyl)-2,2-dimethoxy-acetic acid methyl ester Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C(C(=O)OC)(OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C(C(=O)OC)(OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO6/c1-10(2)8-11-9-12(6-7-13(11)16(18)19)15(21-4,22-5)14(17)20-3/h6-7,9-10H,8H2,1-5H3