(4-bromanyl-2-chloranyl-phenyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-bromo-2-chloro-phenyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-bromo-2-chloro-phenyl) ester Formula: C17H14BrClN2O4 MolecularWeight: 425.66106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrClN2O4/c18-12-4-6-16(13(19)10-12)25-17(22)11-3-5-14(15(9-11)21(23)24)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2