3-[(7R)-7-(1,3-benzodioxol-5-yl)-3-oxidanylidene-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione

Systemtic Name: 3-[(7R)-7-(1,3-benzodioxol-5-yl)-3-oxidanylidene-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione Openeye Name: 3-[(7R)-7-(1,3-benzodioxol-5-yl)-3-oxo-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione CAS Name: 3-[(7R)-7-(1,3-benzodioxol-5-yl)-3-oxo-1,2,4-triazepan-5-ylidene]-1-methylquinoline-2,4-dione IUPAC Name: 3-[(7R)-7-(1,3-benzodioxol-5-yl)-3-oxo-1,2,4-triazepan-5-ylidene]-1-methylquinoline-2,4-dione Traditional Name: 3-[(7R)-7-(1,3-benzodioxol-5-yl)-3-keto-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3CC(NNC(=O)N3)C4=CC5=C(C=C4)OCO5)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C3C[C@@H](NNC(=O)N3)C4=CC5=C(C=C4)OCO5)C1=O

InChI

InChI=1S/C21H18N4O5/c1-25-15-5-3-2-4-12(15)19(26)18(20(25)27)14-9-13(23-24-21(28)22-14)11-6-7-16-17(8-11)30-10-29-16/h2-8,13,23H,9-10H2,1H3,(H2,22,24,28)/t13-/m1/s1