methyl 2-[(8-nitroisoquinolin-5-yl)amino]propanoate

Systemtic Name: methyl 2-[(8-nitroisoquinolin-5-yl)amino]propanoate Openeye Name: methyl 2-[(8-nitro-5-isoquinolyl)amino]propanoate CAS Name: 2-[(8-nitro-5-isoquinolinyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(8-nitroisoquinolin-5-yl)amino]propanoate Traditional Name: 2-[(8-nitro-5-isoquinolyl)amino]propionic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-8(13(17)20-2)15-11-3-4-12(16(18)19)10-7-14-6-5-9(10)11/h3-8,15H,1-2H3