3-cyanopropyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: 3-cyanopropyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: 3-cyanopropyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid 3-cyanopropyl ester Formula: C17H13ClN2O5 MolecularWeight: 360.74852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCC#N)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC#N)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O5/c18-13-5-8-16(15(11-13)20(22)23)25-14-6-3-12(4-7-14)17(21)24-10-2-1-9-19/h3-8,11H,1-2,10H2