(1S,6R)-4-chloranyl-6-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-4-chloranyl-6-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-4-chloro-6-[(2-hydroxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-4-chloro-6-[(2-hydroxy-5-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-4-chloro-6-[(2-hydroxy-5-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-4-chloro-6-[(2-hydroxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H13ClN2O6 MolecularWeight: 340.71582

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C(=O)O)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1C=C(C[C@H]([C@H]1C(=O)O)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C14H13ClN2O6/c15-7-1-3-9(14(20)21)10(5-7)13(19)16-11-6-8(17(22)23)2-4-12(11)18/h1-2,4,6,9-10,18H,3,5H2,(H,16,19)(H,20,21)/t9-,10+/m0/s1