ethyl 4-azanyl-5-cyano-2-oxidanyl-3-phenylmethoxy-benzoate

Systemtic Name: ethyl 4-azanyl-5-cyano-2-oxidanyl-3-phenylmethoxy-benzoate Openeye Name: ethyl 4-amino-3-benzyloxy-5-cyano-2-hydroxy-benzoate CAS Name: 4-amino-5-cyano-2-hydroxy-3-phenylmethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-amino-5-cyano-2-hydroxy-3-phenylmethoxybenzoate Traditional Name: 4-amino-3-benzoxy-5-cyano-2-hydroxy-benzoic acid ethyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1)C#N)N)OCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1)C#N)N)OCC2=CC=CC=C2)O

InChI

InChI=1S/C17H16N2O4/c1-2-22-17(21)13-8-12(9-18)14(19)16(15(13)20)23-10-11-6-4-3-5-7-11/h3-8,20H,2,10,19H2,1H3