ethyl 6-cyano-5-methyl-2-(nitrooxymethyl)imidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 6-cyano-5-methyl-2-(nitrooxymethyl)imidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 6-cyano-5-methyl-2-(nitrooxymethyl)imidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 6-cyano-5-methyl-2-(nitrooxymethyl)-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-5-methyl-2-(nitrooxymethyl)imidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 6-cyano-5-methyl-2-(nitrooxymethyl)imidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C(=C(C3=CC=CC=C32)C#N)C)CO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C(=C(C3=CC=CC=C32)C#N)C)CO[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5/c1-3-25-17(22)15-14(9-26-21(23)24)19-16-12-7-5-4-6-11(12)13(8-18)10(2)20(15)16/h4-7H,3,9H2,1-2H3