ethyl 6-cyano-2,5-dimethyl-7-nitro-imidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 6-cyano-2,5-dimethyl-7-nitro-imidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 6-cyano-2,5-dimethyl-7-nitro-imidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 6-cyano-2,5-dimethyl-7-nitro-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-2,5-dimethyl-7-nitroimidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 6-cyano-2,5-dimethyl-7-nitro-imidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C(=C(C3=C2C=CC=C3[N+](=O)[O-])C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C(=C(C3=C2C=CC=C3[N+](=O)[O-])C#N)C)C

InChI

InChI=1S/C17H14N4O4/c1-4-25-17(22)15-9(2)19-16-11-6-5-7-13(21(23)24)14(11)12(8-18)10(3)20(15)16/h5-7H,4H2,1-3H3