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

Systemtic Name: (4-cyanophenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c1-11-8-14(6-7-15(11)18(20)21)16(19)22-10-13-4-2-12(9-17)3-5-13/h2-8H,10H2,1H3