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ethyl 1-cyano-5-nitro-1H-isoquinoline-2-carboxylate

ethyl 1-cyano-5-nitro-1H-isoquinoline-2-carboxylate

Systemtic Name:ethyl 1-cyano-5-nitro-1H-isoquinoline-2-carboxylate
Openeye Name:ethyl 1-cyano-5-nitro-1H-isoquinoline-2-carboxylate
CAS Name:1-cyano-5-nitro-1H-isoquinoline-2-carboxylic acid ethyl ester
IUPAC Name:ethyl 1-cyano-5-nitro-1H-isoquinoline-2-carboxylate
Traditional Name:1-cyano-5-nitro-1H-isoquinoline-2-carboxylic acid ethyl ester
Formula: C13H11N3O4
MolecularWeight: 273.24414
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=C(C1C#N)C=CC=C2[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)N1C=CC2=C(C1C#N)C=CC=C2[N+](=O)[O-]


InChI

InChI=1S/C13H11N3O4/c1-2-20-13(17)15-7-6-10-9(12(15)8-14)4-3-5-11(10)16(18)19/h3-7,12H,2H2,1H3


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