4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5-nitro-2-oxidanyl-phenyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5-nitro-2-oxidanyl-phenyl)butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxy-5-nitro-phenyl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-(2-hydroxy-5-nitrophenyl)butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-5-nitrophenyl)butanamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-4-phthalimido-butyramide Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c22-15-8-7-11(21(26)27)10-14(15)19-16(23)6-3-9-20-17(24)12-4-1-2-5-13(12)18(20)25/h1-2,4-5,7-8,10,22H,3,6,9H2,(H,19,23)