(3-cyanophenyl) 3-methyl-4-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC(=C2)C#N)[N+](=O)[O-]

InChI

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