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

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

Systemtic Name:methyl 1-cyano-5-nitro-1H-isoquinoline-2-carboxylate
Openeye Name:methyl 1-cyano-5-nitro-1H-isoquinoline-2-carboxylate
CAS Name:1-cyano-5-nitro-1H-isoquinoline-2-carboxylic acid methyl ester
IUPAC Name:methyl 1-cyano-5-nitro-1H-isoquinoline-2-carboxylate
Traditional Name:1-cyano-5-nitro-1H-isoquinoline-2-carboxylic acid methyl ester
Formula: C12H9N3O4
MolecularWeight: 259.21756
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H9N3O4/c1-19-12(16)14-6-5-9-8(11(14)7-13)3-2-4-10(9)15(17)18/h2-6,11H,1H3


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