ethyl 2-[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethanoyl-methyl-amino]-4-nitro-benzoate

Systemtic Name: ethyl 2-[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethanoyl-methyl-amino]-4-nitro-benzoate Openeye Name: ethyl 2-[[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]acetyl]-methyl-amino]-4-nitro-benzoate CAS Name: 2-[[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-1-oxoethyl]-methylamino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]acetyl]-methylamino]-4-nitrobenzoate Traditional Name: 2-[[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]acetyl]-methyl-amino]-4-nitro-benzoic acid ethyl ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N(C)C(=O)COCC=C(C)CCC=C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N(C)C(=O)COC/C=C(/C)\CCC=C(C)C

InChI

InChI=1S/C22H30N2O6/c1-6-30-22(26)19-11-10-18(24(27)28)14-20(19)23(5)21(25)15-29-13-12-17(4)9-7-8-16(2)3/h8,10-12,14H,6-7,9,13,15H2,1-5H3/b17-12-