(4-propoxyphenyl) 4-methoxy-3-nitro-benzoate

Systemtic Name: (4-propoxyphenyl) 4-methoxy-3-nitro-benzoate Openeye Name: (4-propoxyphenyl) 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (4-propoxyphenyl) ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6/c1-3-10-23-13-5-7-14(8-6-13)24-17(19)12-4-9-16(22-2)15(11-12)18(20)21/h4-9,11H,3,10H2,1-2H3