2-methylpropyl 8-chloranyl-7-nitro-3-oxidanylidene-2H-quinoxaline-2-carboxylate

Systemtic Name: 2-methylpropyl 8-chloranyl-7-nitro-3-oxidanylidene-2H-quinoxaline-2-carboxylate Openeye Name: isobutyl 8-chloro-7-nitro-3-oxo-2H-quinoxaline-2-carboxylate CAS Name: 8-chloro-7-nitro-3-oxo-2H-quinoxaline-2-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 8-chloro-7-nitro-3-oxo-2H-quinoxaline-2-carboxylate Traditional Name: 8-chloro-3-keto-7-nitro-2H-quinoxaline-2-carboxylic acid isobutyl ester Formula: C13H12ClN3O5 MolecularWeight: 325.70448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(=O)N=C2C=CC(=C(C2=N1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1C(=O)N=C2C=CC(=C(C2=N1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN3O5/c1-6(2)5-22-13(19)11-12(18)15-7-3-4-8(17(20)21)9(14)10(7)16-11/h3-4,6,11H,5H2,1-2H3