[cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate

Systemtic Name: [cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate Openeye Name: [cyano-(1-isoquinolyl)-(4-nitrophenyl)methyl] ethyl carbonate CAS Name: carbonic acid [cyano-(1-isoquinolinyl)-(4-nitrophenyl)methyl] ethyl ester IUPAC Name: [cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate Traditional Name: carbonic acid [cyano-(1-isoquinolyl)-(4-nitrophenyl)methyl] ethyl ester Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C#N)(C1=CC=C(C=C1)[N+](=O)[O-])C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)OC(C#N)(C1=CC=C(C=C1)[N+](=O)[O-])C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C20H15N3O5/c1-2-27-19(24)28-20(13-21,15-7-9-16(10-8-15)23(25)26)18-17-6-4-3-5-14(17)11-12-22-18/h3-12H,2H2,1H3