3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylonitrile Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H12N2O6S/c1-24-15-9-11(8-14(16(15)19)18(20)21)7-13(10-17)25(22,23)12-5-3-2-4-6-12/h2-9,19H,1H3