(4-ethylphenyl) 4-ethoxy-3-nitro-benzoate

Systemtic Name: (4-ethylphenyl) 4-ethoxy-3-nitro-benzoate Openeye Name: (4-ethylphenyl) 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (4-ethylphenyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5/c1-3-12-5-8-14(9-6-12)23-17(19)13-7-10-16(22-4-2)15(11-13)18(20)21/h5-11H,3-4H2,1-2H3