2-azanyl-4-(1,3-benzodioxol-5-yl)-6-phenyl-benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-phenyl-benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenyl-benzene-1,3-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylbenzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylbenzene-1,3-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenyl-isophthalonitrile Formula: C21H13N3O2 MolecularWeight: 339.34682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=C(C(=C3)C4=CC=CC=C4)C#N)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=C(C(=C3)C4=CC=CC=C4)C#N)N)C#N

InChI

InChI=1S/C21H13N3O2/c22-10-17-15(13-4-2-1-3-5-13)9-16(18(11-23)21(17)24)14-6-7-19-20(8-14)26-12-25-19/h1-9H,12,24H2