4-azanyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindoline-1,3-quinone Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=C(C3=O)C(=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=C(C3=O)C(=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c18-13-3-1-2-12-14(13)17(22)19(16(12)21)6-9-4-11(20(23)24)5-10-7-25-8-26-15(9)10/h1-5H,6-8,18H2