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

Systemtic Name: 2-azanyl-4-(4-chloranyl-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C17H13ClN2O4 MolecularWeight: 344.74912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C4=C(C=C3)OCO4)Cl)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C4=C(C=C3)OCO4)Cl)C(=O)C1

InChI

InChI=1S/C17H13ClN2O4/c18-15-8(4-5-12-16(15)23-7-22-12)13-9(6-19)17(20)24-11-3-1-2-10(21)14(11)13/h4-5,13H,1-3,7,20H2