2-phenoxyethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-phenoxyethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 2-phenoxyethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 2-phenoxyethyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5/c22-19(26-13-12-25-16-6-2-1-3-7-16)15-8-9-17(18(14-15)21(23)24)20-10-4-5-11-20/h1-3,6-9,14H,4-5,10-13H2