[4-(cyanomethyl)phenyl] 4-nitrobenzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 4-nitrobenzoate Openeye Name: [4-(cyanomethyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(cyanomethyl)phenyl] ester Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O4/c16-10-9-11-1-7-14(8-2-11)21-15(18)12-3-5-13(6-4-12)17(19)20/h1-8H,9H2