methyl 4-azanyl-3-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-azanyl-3-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-amino-3-[2-(cyanomethylamino)-2-oxo-ethoxy]benzoate CAS Name: 4-amino-3-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[2-(cyanomethylamino)-2-oxoethoxy]benzoate Traditional Name: 4-amino-3-[2-(cyanomethylamino)-2-keto-ethoxy]benzoic acid methyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4/c1-18-12(17)8-2-3-9(14)10(6-8)19-7-11(16)15-5-4-13/h2-3,6H,5,7,14H2,1H3,(H,15,16)