ethyl 4-chloranyl-3-nitro-2-propyl-benzoate

Systemtic Name: ethyl 4-chloranyl-3-nitro-2-propyl-benzoate Openeye Name: ethyl 4-chloro-3-nitro-2-propyl-benzoate CAS Name: 4-chloro-3-nitro-2-propylbenzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-nitro-2-propylbenzoate Traditional Name: 4-chloro-3-nitro-2-propyl-benzoic acid ethyl ester Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)OCC

InChI

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