methyl 4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl)benzoic acid methyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N

InChI

InChI=1S/C18H16N2O4/c1-23-18(22)11-7-5-10(6-8-11)15-12(9-19)17(20)24-14-4-2-3-13(21)16(14)15/h5-8,15H,2-4,20H2,1H3