2-[(8-nitroisoquinolin-5-yl)amino]propanamide

Systemtic Name: 2-[(8-nitroisoquinolin-5-yl)amino]propanamide Openeye Name: 2-[(8-nitro-5-isoquinolyl)amino]propanamide CAS Name: 2-[(8-nitro-5-isoquinolinyl)amino]propanamide IUPAC Name: 2-[(8-nitroisoquinolin-5-yl)amino]propanamide Traditional Name: 2-[(8-nitro-5-isoquinolyl)amino]propionamide Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N)NC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3/c1-7(12(13)17)15-10-2-3-11(16(18)19)9-6-14-5-4-8(9)10/h2-7,15H,1H3,(H2,13,17)