2-azanyl-4-(1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1

InChI

InChI=1S/C17H14N2O4/c18-7-10-15(9-4-5-12-14(6-9)22-8-21-12)16-11(20)2-1-3-13(16)23-17(10)19/h4-6,15H,1-3,8,19H2