(1S,6R)-6-[[(5-bromanylfuran-2-yl)carbonylamino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[(5-bromanylfuran-2-yl)carbonylamino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[(5-bromo-2-furoyl)amino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C15H17BrN2O5 MolecularWeight: 385.20988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC=C(O2)Br)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NNC(=O)C2=CC=C(O2)Br)C(=O)O)C

InChI

InChI=1S/C15H17BrN2O5/c1-7-5-9(10(15(21)22)6-8(7)2)13(19)17-18-14(20)11-3-4-12(16)23-11/h3-4,9-10H,5-6H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t9-,10+/m1/s1