5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-propyl-isoindole-1,3-dione

Systemtic Name: 5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-propyl-isoindole-1,3-dione Openeye Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-propyl-isoindoline-1,3-dione CAS Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-propylisoindole-1,3-dione IUPAC Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-propylisoindole-1,3-dione Traditional Name: 5-(4-keto-6,7-dimethoxy-3,1-benzoxazin-2-yl)-2-propyl-isoindoline-1,3-quinone Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC(=C(C=C4C(=O)O3)OC)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC(=C(C=C4C(=O)O3)OC)OC

InChI

InChI=1S/C21H18N2O6/c1-4-7-23-19(24)12-6-5-11(8-13(12)20(23)25)18-22-15-10-17(28-3)16(27-2)9-14(15)21(26)29-18/h5-6,8-10H,4,7H2,1-3H3