(4-cyanophenyl)methyl 3-nitrobenzoate

Systemtic Name: (4-cyanophenyl)methyl 3-nitrobenzoate Openeye Name: (4-cyanophenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-cyanobenzyl) 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)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

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