(4-cyanophenyl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (4-cyanophenyl)methyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (4-cyanobenzyl) ester Formula: C21H13ClN2O5 MolecularWeight: 408.79132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H13ClN2O5/c22-17-7-10-20(19(11-17)24(26)27)29-18-8-5-16(6-9-18)21(25)28-13-15-3-1-14(12-23)2-4-15/h1-11H,13H2