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

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

Systemtic Name:(5-ethanoyl-2-methoxy-phenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate
Openeye Name:(5-acetyl-2-methoxy-phenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate
CAS Name:5-nitro-2-(1-pyrrolidinyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester
IUPAC Name:(5-acetyl-2-methoxyphenyl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate
Traditional Name:5-nitro-2-pyrrolidino-benzoic acid (5-acetyl-2-methoxy-benzyl) ester
Formula: C21H22N2O6
MolecularWeight: 398.40918
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H22N2O6/c1-14(24)15-5-8-20(28-2)16(11-15)13-29-21(25)18-12-17(23(26)27)6-7-19(18)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3


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