(1-methylpyrrolidin-2-yl)methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: (1-methylpyrrolidin-2-yl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (1-methylpyrrolidin-2-yl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (1-methyl-2-pyrrolidinyl)methyl ester IUPAC Name: (1-methylpyrrolidin-2-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (1-methylpyrrolidin-2-yl)methyl ester Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCCC1COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN2O4/c1-15-6-2-3-10(15)8-20-13(17)9-4-5-11(14)12(7-9)16(18)19/h4-5,7,10H,2-3,6,8H2,1H3