(5-ethanoyl-2-methoxy-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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