2-bromoethyl 2-cyano-6-nitro-1H-quinoline-2-carboxylate

Systemtic Name: 2-bromoethyl 2-cyano-6-nitro-1H-quinoline-2-carboxylate Openeye Name: 2-bromoethyl 2-cyano-6-nitro-1H-quinoline-2-carboxylate CAS Name: 2-cyano-6-nitro-1H-quinoline-2-carboxylic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 2-cyano-6-nitro-1H-quinoline-2-carboxylate Traditional Name: 2-cyano-6-nitro-1H-quinoline-2-carboxylic acid 2-bromoethyl ester Formula: C13H10BrN3O4 MolecularWeight: 352.1402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(N2)(C#N)C(=O)OCCBr)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(N2)(C#N)C(=O)OCCBr)C=C1[N+](=O)[O-]

InChI

InChI=1S/C13H10BrN3O4/c14-5-6-21-12(18)13(8-15)4-3-9-7-10(17(19)20)1-2-11(9)16-13/h1-4,7,16H,5-6H2