benzo[a]anthracen-1-yloxy(methoxy)borinate; pyridin-1-ium-2-carbonitrile

Systemtic Name: benzo[a]anthracen-1-yloxy(methoxy)borinate; pyridin-1-ium-2-carbonitrile Openeye Name: benzo[a]anthracen-1-yloxy(methoxy)borinate; pyridin-1-ium-2-carbonitrile CAS Name: 1-benzo[a]anthracenyloxy(methoxy)borinate; 2-pyridin-1-iumcarbonitrile IUPAC Name: benzo[a]anthracen-1-yloxy(methoxy)borinate; pyridin-1-ium-2-carbonitrile Traditional Name: benz[a]anthracen-1-yloxy(methoxy)borinate; pyridin-1-ium-2-carbonitrile Formula: C25H19BN2O3 MolecularWeight: 406.24096

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])(OC)OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.C1=CC=[NH+]C(=C1)C#N

Isomeric SMILES

B([O-])(OC)OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.C1=CC=[NH+]C(=C1)C#N

InChI

InChI=1S/C19H14BO3.C6H4N2/c1-22-20(21)23-18-8-4-7-13-9-10-16-11-14-5-2-3-6-15(14)12-17(16)19(13)18;7-5-6-3-1-2-4-8-6/h2-12H,1H3;1-4H/q-1;/p+1