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

Systemtic Name: (3-cyanophenyl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (3-cyanophenyl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3-cyanobenzyl) ester Formula: C15H9ClN2O4 MolecularWeight: 316.69596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C15H9ClN2O4/c16-14-7-12(18(20)21)4-5-13(14)15(19)22-9-11-3-1-2-10(6-11)8-17/h1-7H,9H2