ethyl 4-chloranyl-5-nitro-2-propyl-benzoate

Systemtic Name: ethyl 4-chloranyl-5-nitro-2-propyl-benzoate Openeye Name: ethyl 4-chloro-5-nitro-2-propyl-benzoate CAS Name: 4-chloro-5-nitro-2-propylbenzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-5-nitro-2-propylbenzoate Traditional Name: 4-chloro-5-nitro-2-propyl-benzoic acid ethyl ester Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1C(=O)OCC)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=CC(=C(C=C1C(=O)OCC)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClNO4/c1-3-5-8-6-10(13)11(14(16)17)7-9(8)12(15)18-4-2/h6-7H,3-5H2,1-2H3