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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC

InChI

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