methyl 4-azanyl-3-ethynyl-benzoate

Systemtic Name: methyl 4-azanyl-3-ethynyl-benzoate Openeye Name: methyl 4-amino-3-ethynyl-benzoate CAS Name: 4-amino-3-ethynylbenzoic acid methyl ester IUPAC Name: methyl 4-amino-3-ethynylbenzoate Traditional Name: 4-amino-3-ethynyl-benzoic acid methyl ester Formula: C10H9NO2 MolecularWeight: 175.18396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)C#C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)C#C

InChI

InChI=1S/C10H9NO2/c1-3-7-6-8(10(12)13-2)4-5-9(7)11/h1,4-6H,11H2,2H3