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

Systemtic Name: 3-cyanopropyl 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: 3-cyanopropyl 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid 3-cyanopropyl ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCCCC#N)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCCCC#N)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O6/c1-25-17-10-12(18(22)26-9-3-2-8-20)4-6-16(17)27-15-7-5-13(19)11-14(15)21(23)24/h4-7,10-11H,2-3,9H2,1H3