(3-cyanophenyl)methyl 2-nitrobenzoate

Systemtic Name: (3-cyanophenyl)methyl 2-nitrobenzoate Openeye Name: (3-cyanophenyl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (3-cyanobenzyl) ester Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)[N+](=O)[O-]

InChI

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