(2-chloranyl-4-nitro-phenyl) 4-butoxybenzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 4-butoxybenzoate Openeye Name: (2-chloro-4-nitro-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (2-chloro-4-nitro-phenyl) ester Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClNO5/c1-2-3-10-23-14-7-4-12(5-8-14)17(20)24-16-9-6-13(19(21)22)11-15(16)18/h4-9,11H,2-3,10H2,1H3