4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-chloranyl-4-nitro-phenyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-chloranyl-4-nitro-phenyl)butanamide Openeye Name: N-(3-chloro-4-nitro-phenyl)-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-(3-chloro-4-nitrophenyl)-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(3-chloro-4-nitrophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(3-chloro-4-nitro-phenyl)-4-phthalimido-butyramide Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O5/c19-14-10-11(7-8-15(14)22(26)27)20-16(23)6-3-9-21-17(24)12-4-1-2-5-13(12)18(21)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,23)