(3-cyanophenyl)methyl 4-nitrobenzoate

Systemtic Name: (3-cyanophenyl)methyl 4-nitrobenzoate Openeye Name: (3-cyanophenyl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-cyanobenzyl) ester Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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