(4-nitrophenyl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (4-nitrophenyl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (4-nitrophenyl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (4-nitrobenzyl) ester Formula: C19H20ClNO6 MolecularWeight: 393.8182

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H20ClNO6/c1-3-9-26-18-16(20)10-14(11-17(18)25-4-2)19(22)27-12-13-5-7-15(8-6-13)21(23)24/h5-8,10-11H,3-4,9,12H2,1-2H3