methyl 3-azanyl-4-cyano-benzoate

Systemtic Name: methyl 3-azanyl-4-cyano-benzoate Openeye Name: methyl 3-amino-4-cyano-benzoate CAS Name: 3-amino-4-cyanobenzoic acid methyl ester IUPAC Name: methyl 3-amino-4-cyanobenzoate Traditional Name: 3-amino-4-cyano-benzoic acid methyl ester Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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