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

Systemtic Name: (2-cyanophenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-cyanophenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-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=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

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