methyl 3-chloranyl-3-(methylamino)-5-nitro-6-oxidanyl-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 3-chloranyl-3-(methylamino)-5-nitro-6-oxidanyl-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 3-chloro-6-hydroxy-3-(methylamino)-5-nitro-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-chloro-6-hydroxy-3-(methylamino)-5-nitro-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-hydroxy-3-(methylamino)-5-nitrocyclohexa-1,4-diene-1-carboxylate Traditional Name: 3-chloro-6-hydroxy-3-(methylamino)-5-nitro-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C9H11ClN2O5 MolecularWeight: 262.64704

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Descriptors Computed from Structure

Canonical SMILES:

CNC1(C=C(C(C(=C1)[N+](=O)[O-])O)C(=O)OC)Cl

Isomeric SMILES

CNC1(C=C(C(C(=C1)[N+](=O)[O-])O)C(=O)OC)Cl

InChI

InChI=1S/C9H11ClN2O5/c1-11-9(10)3-5(8(14)17-2)7(13)6(4-9)12(15)16/h3-4,7,11,13H,1-2H3