(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C24H30N2O4/c1-16-12-19(24(3,4)5)13-17(2)20(16)15-30-23(27)18-8-9-21(22(14-18)26(28)29)25-10-6-7-11-25/h8-9,12-14H,6-7,10-11,15H2,1-5H3