cyanomethyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: cyanomethyl 3-azanyl-4-chloranyl-benzoate Openeye Name: cyanomethyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid cyanomethyl ester Formula: C9H7ClN2O2 MolecularWeight: 210.61708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC#N)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC#N)N)Cl

InChI

InChI=1S/C9H7ClN2O2/c10-7-2-1-6(5-8(7)12)9(13)14-4-3-11/h1-2,5H,4,12H2