2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-nitro-phenolate Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-4-nitro-phenolate CAS Name: 2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-4-nitrophenolate IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-nitrophenolate Traditional Name: 4-nitro-2-(3-phthalimidopropanoylamino)phenolate Formula: C17H12N3O6- MolecularWeight: 354.29368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6/c21-14-6-5-10(20(25)26)9-13(14)18-15(22)7-8-19-16(23)11-3-1-2-4-12(11)17(19)24/h1-6,9,21H,7-8H2,(H,18,22)/p-1