3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile

Systemtic Name: 3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile Openeye Name: 3-[(4-nitrophenyl)methoxy]benzothiophene-2-carbonitrile CAS Name: 3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile IUPAC Name: 3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile Traditional Name: 3-(4-nitrobenzyl)oxybenzothiophene-2-carbonitrile Formula: C16H10N2O3S MolecularWeight: 310.3272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C#N)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C#N)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O3S/c17-9-15-16(13-3-1-2-4-14(13)22-15)21-10-11-5-7-12(8-6-11)18(19)20/h1-8H,10H2