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

Systemtic Name: (2-cyanophenyl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (2-cyanophenyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-cyanobenzyl) ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

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