3-[methoxy(phenyl)methyl]pentan-3-yl 4-nitrobenzoate

Systemtic Name: 3-[methoxy(phenyl)methyl]pentan-3-yl 4-nitrobenzoate Openeye Name: [1-ethyl-1-[methoxy(phenyl)methyl]propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-[methoxy(phenyl)methyl]pentan-3-yl ester IUPAC Name: 3-[methoxy(phenyl)methyl]pentan-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-ethyl-1-[methoxy(phenyl)methyl]propyl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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