(Z)-2-(3-nitrophenyl)carbonyl-3-(3-nitro-4-phenylsulfanyl-phenyl)prop-2-enenitrile

Systemtic Name: (Z)-2-(3-nitrophenyl)carbonyl-3-(3-nitro-4-phenylsulfanyl-phenyl)prop-2-enenitrile Openeye Name: (Z)-2-(3-nitrobenzoyl)-3-(3-nitro-4-phenylsulfanyl-phenyl)prop-2-enenitrile CAS Name: (Z)-2-[(3-nitrophenyl)-oxomethyl]-3-[3-nitro-4-(phenylthio)phenyl]-2-propenenitrile IUPAC Name: (Z)-2-(3-nitrobenzoyl)-3-(3-nitro-4-phenylsulfanylphenyl)prop-2-enenitrile Traditional Name: (Z)-2-(3-nitrobenzoyl)-3-[3-nitro-4-(phenylthio)phenyl]acrylonitrile Formula: C22H13N3O5S MolecularWeight: 431.42072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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