ethanol; methyl 4-(2-azanyl-3-cyano-7-oxidanyl-4H-chromen-4-yl)benzoate

Systemtic Name: ethanol; methyl 4-(2-azanyl-3-cyano-7-oxidanyl-4H-chromen-4-yl)benzoate Openeye Name: ethanol; methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-7-hydroxy-4H-1-benzopyran-4-yl)benzoic acid methyl ester; ethanol IUPAC Name: ethanol; methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoic acid methyl ester; ethanol Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCO.COC(=O)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N

Isomeric SMILES

CCO.COC(=O)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N

InChI

InChI=1S/C18H14N2O4.C2H6O/c1-23-18(22)11-4-2-10(3-5-11)16-13-7-6-12(21)8-15(13)24-17(20)14(16)9-19;1-2-3/h2-8,16,21H,20H2,1H3;3H,2H2,1H3