(4-butoxyphenyl) 3-nitrobenzoate

Systemtic Name: (4-butoxyphenyl) 3-nitrobenzoate Openeye Name: (4-butoxyphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-butoxyphenyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-2-3-11-22-15-7-9-16(10-8-15)23-17(19)13-5-4-6-14(12-13)18(20)21/h4-10,12H,2-3,11H2,1H3