methyl 3-isocyano-4-methyl-benzoate

Systemtic Name: methyl 3-isocyano-4-methyl-benzoate Openeye Name: methyl 3-isocyano-4-methyl-benzoate CAS Name: 3-isocyano-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-isocyano-4-methylbenzoate Traditional Name: 3-isocyano-4-methyl-benzoic acid methyl ester Formula: C10H9NO2 MolecularWeight: 175.18396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO2/c1-7-4-5-8(10(12)13-3)6-9(7)11-2/h4-6H,1,3H3