2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile hydrate

Systemtic Name: 2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile hydrate Openeye Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile hydrate CAS Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile hydrate IUPAC Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile hydrate Traditional Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile hydrate Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)O.O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)O.O

InChI

InChI=1S/C18H18N2O4.H2O/c1-2-23-15-8-10(6-7-12(15)21)16-11(9-19)18(20)24-14-5-3-4-13(22)17(14)16;/h6-8,16,21H,2-5,20H2,1H3;1H2