(2Z)-2-[cyclohexyl-[2-nitrooxy-4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid

Systemtic Name: (2Z)-2-[cyclohexyl-[2-nitrooxy-4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Openeye Name: (2Z)-2-[cyclohexyl-[2-nitrooxy-4-(2-quinolylmethoxy)phenyl]methoxy]iminopropanoic acid CAS Name: (2Z)-2-[cyclohexyl-[2-nitrooxy-4-(2-quinolinylmethoxy)phenyl]methoxy]iminopropanoic acid IUPAC Name: (2Z)-2-[cyclohexyl-[2-nitrooxy-4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Traditional Name: (2Z)-2-[cyclohexyl-[2-nitrooxy-4-(2-quinolylmethoxy)phenyl]methyl]oximinopropionic acid Formula: C26H27N3O7 MolecularWeight: 493.50848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1CCCCC1)C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)O[N+](=O)[O-])C(=O)O

Isomeric SMILES

C/C(=N/OC(C1CCCCC1)C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)O[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C26H27N3O7/c1-17(26(30)31)28-35-25(19-8-3-2-4-9-19)22-14-13-21(15-24(22)36-29(32)33)34-16-20-12-11-18-7-5-6-10-23(18)27-20/h5-7,10-15,19,25H,2-4,8-9,16H2,1H3,(H,30,31)/b28-17-