(Z)-2-(3-nitrophenyl)carbonyl-3-(5-nitro-2-phenylsulfanyl-phenyl)prop-2-enenitrile

Systemtic Name: (Z)-2-(3-nitrophenyl)carbonyl-3-(5-nitro-2-phenylsulfanyl-phenyl)prop-2-enenitrile Openeye Name: (Z)-2-(3-nitrobenzoyl)-3-(5-nitro-2-phenylsulfanyl-phenyl)prop-2-enenitrile CAS Name: (Z)-2-[(3-nitrophenyl)-oxomethyl]-3-[5-nitro-2-(phenylthio)phenyl]-2-propenenitrile IUPAC Name: (Z)-2-(3-nitrobenzoyl)-3-(5-nitro-2-phenylsulfanylphenyl)prop-2-enenitrile Traditional Name: (Z)-2-(3-nitrobenzoyl)-3-[5-nitro-2-(phenylthio)phenyl]acrylonitrile Formula: C22H13N3O5S MolecularWeight: 431.42072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=C(/C#N)\C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O5S/c23-14-17(22(26)15-5-4-6-18(12-15)24(27)28)11-16-13-19(25(29)30)9-10-21(16)31-20-7-2-1-3-8-20/h1-13H/b17-11-