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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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