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

Systemtic Name: propyl 4-chloranyl-5-nitro-2-propyl-benzoate Openeye Name: propyl 4-chloro-5-nitro-2-propyl-benzoate CAS Name: 4-chloro-5-nitro-2-propylbenzoic acid propyl ester IUPAC Name: propyl 4-chloro-5-nitro-2-propylbenzoate Traditional Name: 4-chloro-5-nitro-2-propyl-benzoic acid propyl ester Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-3-5-9-7-11(14)12(15(17)18)8-10(9)13(16)19-6-4-2/h7-8H,3-6H2,1-2H3