1-(4,5-dimethoxy-2-nitro-phenyl)propyl 5-methyl-2-propyl-benzoate

Systemtic Name: 1-(4,5-dimethoxy-2-nitro-phenyl)propyl 5-methyl-2-propyl-benzoate Openeye Name: 1-(4,5-dimethoxy-2-nitro-phenyl)propyl 5-methyl-2-propyl-benzoate CAS Name: 5-methyl-2-propylbenzoic acid 1-(4,5-dimethoxy-2-nitrophenyl)propyl ester IUPAC Name: 1-(4,5-dimethoxy-2-nitrophenyl)propyl 5-methyl-2-propylbenzoate Traditional Name: 5-methyl-2-propyl-benzoic acid 1-(4,5-dimethoxy-2-nitro-phenyl)propyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C)C(=O)OC(CC)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCC1=C(C=C(C=C1)C)C(=O)OC(CC)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H27NO6/c1-6-8-15-10-9-14(3)11-16(15)22(24)29-19(7-2)17-12-20(27-4)21(28-5)13-18(17)23(25)26/h9-13,19H,6-8H2,1-5H3