4-[(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enyl]-3-oxidanyl-2-oxidanylidene-indol-1-yl]butanenitrile

Systemtic Name: 4-[(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enyl]-3-oxidanyl-2-oxidanylidene-indol-1-yl]butanenitrile Openeye Name: 4-[(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxo-but-3-enyl]-3-hydroxy-2-oxo-indolin-1-yl]butanenitrile CAS Name: 4-[(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-2-oxo-1-indolyl]butanenitrile IUPAC Name: 4-[(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile Traditional Name: 4-[(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-keto-but-3-enyl]-3-hydroxy-2-keto-indolin-1-yl]butyronitrile Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3(C4=CC=CC=C4N(C3=O)CCCC#N)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C[C@@]3(C4=CC=CC=C4N(C3=O)CCCC#N)O

InChI

InChI=1S/C23H20N2O5/c24-11-3-4-12-25-19-6-2-1-5-18(19)23(28,22(25)27)14-17(26)9-7-16-8-10-20-21(13-16)30-15-29-20/h1-2,5-10,13,28H,3-4,12,14-15H2/b9-7+/t23-/m0/s1