ethyl 2-chloranyl-5-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: ethyl 2-chloranyl-5-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: ethyl 2-chloro-5-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 2-chloro-5-nitro-4-(1-pyrrolidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 2-chloro-5-nitro-4-pyrrolidino-benzoic acid ethyl ester Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1Cl)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1Cl)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN2O4/c1-2-20-13(17)9-7-12(16(18)19)11(8-10(9)14)15-5-3-4-6-15/h7-8H,2-6H2,1H3