(3-methyl-4-nitro-phenyl) 3-cyanobenzoate

Systemtic Name: (3-methyl-4-nitro-phenyl) 3-cyanobenzoate Openeye Name: (3-methyl-4-nitro-phenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (3-methyl-4-nitro-phenyl) ester Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC(=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4/c1-10-7-13(5-6-14(10)17(19)20)21-15(18)12-4-2-3-11(8-12)9-16/h2-8H,1H3