4-heptoxy-3-nitro-2-phenyl-benzoate

Systemtic Name: 4-heptoxy-3-nitro-2-phenyl-benzoate Openeye Name: 4-heptoxy-3-nitro-2-phenyl-benzoate CAS Name: 4-heptoxy-3-nitro-2-phenylbenzoate IUPAC Name: 4-heptoxy-3-nitro-2-phenylbenzoate Traditional Name: 4-heptoxy-3-nitro-2-phenyl-benzoate Formula: C20H22NO5- MolecularWeight: 356.39238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO5/c1-2-3-4-5-9-14-26-17-13-12-16(20(22)23)18(19(17)21(24)25)15-10-7-6-8-11-15/h6-8,10-13H,2-5,9,14H2,1H3,(H,22,23)/p-1