methyl 3-azanyl-5-cyano-benzoate

Systemtic Name: methyl 3-azanyl-5-cyano-benzoate Openeye Name: methyl 3-amino-5-cyano-benzoate CAS Name: 3-amino-5-cyanobenzoic acid methyl ester IUPAC Name: methyl 3-amino-5-cyanobenzoate Traditional Name: 3-amino-5-cyano-benzoic acid methyl ester Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O2/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4H,11H2,1H3