(E)-6-(2-methoxy-3,4-dimethyl-5-nitro-6-oxidanyl-phenyl)-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-(2-methoxy-3,4-dimethyl-5-nitro-6-oxidanyl-phenyl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(2-hydroxy-6-methoxy-4,5-dimethyl-3-nitro-phenyl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(2-hydroxy-6-methoxy-4,5-dimethyl-3-nitrophenyl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(2-hydroxy-6-methoxy-4,5-dimethyl-3-nitrophenyl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(2-hydroxy-6-methoxy-4,5-dimethyl-3-nitro-phenyl)-4-methyl-hex-4-enoic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])O)CC=C(C)CCC(=O)O)OC)C

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])O)C/C=C(\C)/CCC(=O)O)OC)C

InChI

InChI=1S/C16H21NO6/c1-9(6-8-13(18)19)5-7-12-15(20)14(17(21)22)10(2)11(3)16(12)23-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+