3-(4-methoxy-3-nitro-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(4-methoxy-3-nitro-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(4-methoxy-3-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(4-methoxy-3-nitro-phenyl)acrylonitrile Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c1-23-16-8-7-12(10-15(16)18(19)20)9-14(11-17)24(21,22)13-5-3-2-4-6-13/h2-10H,1H3