4-[4-(2-dimethylaminoethyl)-3-nitro-phenyl]-5-oxidanyl-2H-isoquinolin-1-one

Systemtic Name: 4-[4-(2-dimethylaminoethyl)-3-nitro-phenyl]-5-oxidanyl-2H-isoquinolin-1-one Openeye Name: 4-[4-(2-dimethylaminoethyl)-3-nitro-phenyl]-5-hydroxy-2H-isoquinolin-1-one CAS Name: 4-[4-(2-dimethylaminoethyl)-3-nitrophenyl]-5-hydroxy-2H-isoquinolin-1-one IUPAC Name: 4-[4-(2-dimethylaminoethyl)-3-nitrophenyl]-5-hydroxy-2H-isoquinolin-1-one Traditional Name: 4-[4-(2-dimethylaminoethyl)-3-nitro-phenyl]-5-hydroxy-isocarbostyril Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C=C(C=C1)C2=CNC(=O)C3=C2C(=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1=C(C=C(C=C1)C2=CNC(=O)C3=C2C(=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-21(2)9-8-12-6-7-13(10-16(12)22(25)26)15-11-20-19(24)14-4-3-5-17(23)18(14)15/h3-7,10-11,23H,8-9H2,1-2H3,(H,20,24)