(Z)-2-[2-nitro-5-(phenylsulfonyl)phenyl]but-2-enenitrile

Systemtic Name: (Z)-2-[2-nitro-5-(phenylsulfonyl)phenyl]but-2-enenitrile Openeye Name: (Z)-2-[5-(benzenesulfonyl)-2-nitro-phenyl]but-2-enenitrile CAS Name: (Z)-2-[5-(benzenesulfonyl)-2-nitrophenyl]-2-butenenitrile IUPAC Name: (Z)-2-[5-(benzenesulfonyl)-2-nitrophenyl]but-2-enenitrile Traditional Name: (Z)-2-(5-besyl-2-nitro-phenyl)but-2-enenitrile Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C#N)C1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C/C=C(\C#N)/C1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-2-12(11-17)15-10-14(8-9-16(15)18(19)20)23(21,22)13-6-4-3-5-7-13/h2-10H,1H3/b12-2+