(E)-N-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-N-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-N-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindolin-2-yl)butyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2-isoindolyl)butyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(4-chlorophenyl)-3-(4-nitrophenyl)-N-(4-phthalimidobutyl)acrylamide Formula: C27H22ClN3O5 MolecularWeight: 503.93368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H22ClN3O5/c28-20-10-14-21(15-11-20)29(25(32)16-9-19-7-12-22(13-8-19)31(35)36)17-3-4-18-30-26(33)23-5-1-2-6-24(23)27(30)34/h1-2,5-16H,3-4,17-18H2/b16-9+