[cyano(phenyl)methyl] 4-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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