3-cyanopropyl 2-methoxy-5-nitro-benzoate

Systemtic Name: 3-cyanopropyl 2-methoxy-5-nitro-benzoate Openeye Name: 3-cyanopropyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid 3-cyanopropyl ester Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCCC#N

InChI

InChI=1S/C12H12N2O5/c1-18-11-5-4-9(14(16)17)8-10(11)12(15)19-7-3-2-6-13/h4-5,8H,2-3,7H2,1H3