methyl 4-[(2-nitro-6-phenethyl-phenoxy)methyl]benzoate

Systemtic Name: methyl 4-[(2-nitro-6-phenethyl-phenoxy)methyl]benzoate Openeye Name: methyl 4-[(2-nitro-6-phenethyl-phenoxy)methyl]benzoate CAS Name: 4-[(2-nitro-6-phenethylphenoxy)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-nitro-6-phenethylphenoxy)methyl]benzoate Traditional Name: 4-[(2-nitro-6-phenethyl-phenoxy)methyl]benzoic acid methyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C23H21NO5/c1-28-23(25)20-14-11-18(12-15-20)16-29-22-19(8-5-9-21(22)24(26)27)13-10-17-6-3-2-4-7-17/h2-9,11-12,14-15H,10,13,16H2,1H3