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

Systemtic Name: N-(3-hydroxyphenyl)-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(3-hydroxyphenyl)-4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(3-hydroxyphenyl)-4-(5-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(3-hydroxyphenyl)-4-(5-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(3-hydroxyphenyl)butyramide Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)O)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

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