methyl 2-azanyl-4-ethynyl-3-methyl-benzoate

Systemtic Name: methyl 2-azanyl-4-ethynyl-3-methyl-benzoate Openeye Name: methyl 2-amino-4-ethynyl-3-methyl-benzoate CAS Name: 2-amino-4-ethynyl-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-amino-4-ethynyl-3-methylbenzoate Traditional Name: 2-amino-4-ethynyl-3-methyl-benzoic acid methyl ester Formula: C11H11NO2 MolecularWeight: 189.21054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N)C(=O)OC)C#C

Isomeric SMILES

CC1=C(C=CC(=C1N)C(=O)OC)C#C

InChI

InChI=1S/C11H11NO2/c1-4-8-5-6-9(11(13)14-3)10(12)7(8)2/h1,5-6H,12H2,2-3H3