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

Systemtic Name: (E)-6-(2-azanyl-6-methoxy-4,5-dimethyl-3-nitro-phenyl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(2-amino-6-methoxy-4,5-dimethyl-3-nitro-phenyl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(2-amino-6-methoxy-4,5-dimethyl-3-nitrophenyl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(2-amino-6-methoxy-4,5-dimethyl-3-nitrophenyl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(2-amino-6-methoxy-4,5-dimethyl-3-nitro-phenyl)-4-methyl-hex-4-enoic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-9(6-8-13(19)20)5-7-12-14(17)15(18(21)22)10(2)11(3)16(12)23-4/h5H,6-8,17H2,1-4H3,(H,19,20)/b9-5+