(4-tert-butylphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-tert-butylphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-tert-butylbenzyl) ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O4/c1-22(2,3)18-9-6-16(7-10-18)15-28-21(25)17-8-11-19(20(14-17)24(26)27)23-12-4-5-13-23/h6-11,14H,4-5,12-13,15H2,1-3H3