(2-methoxy-5-methyl-phenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H22N2O5/c1-14-5-8-19(26-2)15(11-14)13-27-20(23)17-12-16(22(24)25)6-7-18(17)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10,13H2,1-2H3