2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-5-nitro-benzaldehyde

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-5-nitrobenzaldehyde IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-5-nitrobenzaldehyde Traditional Name: 5-nitro-2-(4-phthalimidobutylthio)benzaldehyde Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C19H16N2O5S/c22-12-13-11-14(21(25)26)7-8-17(13)27-10-4-3-9-20-18(23)15-5-1-2-6-16(15)19(20)24/h1-2,5-8,11-12H,3-4,9-10H2