(3,4-dichlorophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (3,4-dichlorophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3,4-dichlorophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3,4-dichlorobenzyl) ester Formula: C18H16Cl2N2O4 MolecularWeight: 395.23664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl2N2O4/c19-14-5-3-12(9-15(14)20)11-26-18(23)13-4-6-16(17(10-13)22(24)25)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2