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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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