ethyl (E)-6-[2-[(3-methoxy-4-nitro-phenyl)carbonyl-methyl-amino]-5-methyl-phenoxy]hex-2-enoate

Systemtic Name: ethyl (E)-6-[2-[(3-methoxy-4-nitro-phenyl)carbonyl-methyl-amino]-5-methyl-phenoxy]hex-2-enoate Openeye Name: ethyl (E)-6-[2-[(3-methoxy-4-nitro-benzoyl)-methyl-amino]-5-methyl-phenoxy]hex-2-enoate CAS Name: (E)-6-[2-[[(3-methoxy-4-nitrophenyl)-oxomethyl]-methylamino]-5-methylphenoxy]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-6-[2-[(3-methoxy-4-nitrobenzoyl)-methylamino]-5-methylphenoxy]hex-2-enoate Traditional Name: (E)-6-[2-[(3-methoxy-4-nitro-benzoyl)-methyl-amino]-5-methyl-phenoxy]hex-2-enoic acid ethyl ester Formula: C24H28N2O7 MolecularWeight: 456.48832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCOC1=C(C=CC(=C1)C)N(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)/C=C/CCCOC1=C(C=CC(=C1)C)N(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C24H28N2O7/c1-5-32-23(27)9-7-6-8-14-33-22-15-17(2)10-12-19(22)25(3)24(28)18-11-13-20(26(29)30)21(16-18)31-4/h7,9-13,15-16H,5-6,8,14H2,1-4H3/b9-7+