2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-5-nitro-benzaldehyde

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-5-nitrobenzaldehyde IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-5-nitrobenzaldehyde Traditional Name: 5-nitro-2-(3-phthalimidopropylthio)benzaldehyde Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C18H14N2O5S/c21-11-12-10-13(20(24)25)6-7-16(12)26-9-3-8-19-17(22)14-4-1-2-5-15(14)18(19)23/h1-2,4-7,10-11H,3,8-9H2