3-azanyl-4-(2,4-dimethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-2-carbonitrile

Systemtic Name: 3-azanyl-4-(2,4-dimethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-2-carbonitrile Openeye Name: 3-amino-4-(2,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-2-carbonitrile CAS Name: 3-amino-4-(2,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-2-carbonitrile IUPAC Name: 3-amino-4-(2,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-2-carbonitrile Traditional Name: 3-amino-4-(2,4-dimethoxyphenyl)-5-keto-4,6,7,8-tetrahydrochromene-2-carbonitrile Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C3=C(CCCC3=O)OC(=C2N)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2C3=C(CCCC3=O)OC(=C2N)C#N)OC

InChI

InChI=1S/C18H18N2O4/c1-22-10-6-7-11(14(8-10)23-2)16-17-12(21)4-3-5-13(17)24-15(9-19)18(16)20/h6-8,16H,3-5,20H2,1-2H3