[4-(cyanomethyl)phenyl] 3-nitrobenzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-nitrobenzoate Openeye Name: [4-(cyanomethyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(cyanomethyl)phenyl] ester Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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