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

Systemtic Name: (4-decoxycarbonylphenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-decoxycarbonylphenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[decoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-decoxycarbonylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-decoxycarbonylphenyl) ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6/c1-3-4-5-6-7-8-9-10-17-31-24(27)20-13-15-22(16-14-20)32-25(28)21-12-11-19(2)23(18-21)26(29)30/h11-16,18H,3-10,17H2,1-2H3