cyanomethyl 3-methyl-4-nitro-benzoate

Systemtic Name: cyanomethyl 3-methyl-4-nitro-benzoate Openeye Name: cyanomethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid cyanomethyl ester Formula: C10H8N2O4 MolecularWeight: 220.18152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O4/c1-7-6-8(10(13)16-5-4-11)2-3-9(7)12(14)15/h2-3,6H,5H2,1H3