1-[(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl]azepane-2,7-dione

Systemtic Name: 1-[(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl]azepane-2,7-dione Openeye Name: 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]azepane-2,7-dione CAS Name: 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]azepane-2,7-dione IUPAC Name: 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]azepane-2,7-dione Traditional Name: 1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]azepane-2,7-quinone Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C15H18N2O4/c16-12-5-10(15-11(6-12)8-20-9-21-15)7-17-13(18)3-1-2-4-14(17)19/h5-6H,1-4,7-9,16H2