(3E)-3-[oxidanyl-(propan-2-ylamino)methylidene]isoquinoline-1,4-dione

Systemtic Name: (3E)-3-[oxidanyl-(propan-2-ylamino)methylidene]isoquinoline-1,4-dione Openeye Name: (3E)-3-[hydroxy-(isopropylamino)methylene]isoquinoline-1,4-dione CAS Name: (3E)-3-[hydroxy-(propan-2-ylamino)methylidene]isoquinoline-1,4-dione IUPAC Name: (3E)-3-[hydroxy-(propan-2-ylamino)methylidene]isoquinoline-1,4-dione Traditional Name: (3E)-3-[hydroxy-(isopropylamino)methylene]isoquinoline-1,4-quinone Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=C1C(=O)C2=CC=CC=C2C(=O)N1)O

Isomeric SMILES

CC(C)N/C(=C\1/C(=O)C2=CC=CC=C2C(=O)N1)/O

InChI

InChI=1S/C13H14N2O3/c1-7(2)14-13(18)10-11(16)8-5-3-4-6-9(8)12(17)15-10/h3-7,14,18H,1-2H3,(H,15,17)/b13-10+