ethyl 4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(8-nitro-5-isoquinolyl)piperazine-1-carboxylate CAS Name: 4-(8-nitro-5-isoquinolinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(8-nitro-5-isoquinolyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-2-24-16(21)19-9-7-18(8-10-19)14-3-4-15(20(22)23)13-11-17-6-5-12(13)14/h3-6,11H,2,7-10H2,1H3