[4-(cyanomethyl)phenyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-(cyanomethyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-(cyanomethyl)phenyl] ester Formula: C15H9ClN2O4 MolecularWeight: 316.69596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC#N)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

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