6-[2-[(3-methoxy-4-nitro-phenyl)carbonyl-methyl-amino]-5-methyl-phenoxy]hexanoic acid

Systemtic Name: 6-[2-[(3-methoxy-4-nitro-phenyl)carbonyl-methyl-amino]-5-methyl-phenoxy]hexanoic acid Openeye Name: 6-[2-[(3-methoxy-4-nitro-benzoyl)-methyl-amino]-5-methyl-phenoxy]hexanoic acid CAS Name: 6-[2-[[(3-methoxy-4-nitrophenyl)-oxomethyl]-methylamino]-5-methylphenoxy]hexanoic acid IUPAC Name: 6-[2-[(3-methoxy-4-nitrobenzoyl)-methylamino]-5-methylphenoxy]hexanoic acid Traditional Name: 6-[2-[(3-methoxy-4-nitro-benzoyl)-methyl-amino]-5-methyl-phenoxy]hexanoic acid Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC)OCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC)OCCCCCC(=O)O

InChI

InChI=1S/C22H26N2O7/c1-15-8-10-17(20(13-15)31-12-6-4-5-7-21(25)26)23(2)22(27)16-9-11-18(24(28)29)19(14-16)30-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)