(4-propan-2-ylphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-isopropylphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-isopropylbenzyl) ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-15(2)17-7-5-16(6-8-17)14-27-21(24)18-9-10-19(20(13-18)23(25)26)22-11-3-4-12-22/h5-10,13,15H,3-4,11-12,14H2,1-2H3