4-nitro-2-[(5-nitrofuran-2-yl)methyl]isoquinolin-1-one

Systemtic Name: 4-nitro-2-[(5-nitrofuran-2-yl)methyl]isoquinolin-1-one Openeye Name: 4-nitro-2-[(5-nitro-2-furyl)methyl]isoquinolin-1-one CAS Name: 4-nitro-2-[(5-nitro-2-furanyl)methyl]-1-isoquinolinone IUPAC Name: 4-nitro-2-[(5-nitrofuran-2-yl)methyl]isoquinolin-1-one Traditional Name: 4-nitro-2-[(5-nitro-2-furyl)methyl]isocarbostyril Formula: C14H9N3O6 MolecularWeight: 315.23776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CC=C(O3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CC=C(O3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O6/c18-14-11-4-2-1-3-10(11)12(16(19)20)8-15(14)7-9-5-6-13(23-9)17(21)22/h1-6,8H,7H2