ethyl 2-[2-hex-5-enoxyethanoyl(3-methylbut-2-enyl)amino]-4-nitro-benzoate

Systemtic Name: ethyl 2-[2-hex-5-enoxyethanoyl(3-methylbut-2-enyl)amino]-4-nitro-benzoate Openeye Name: ethyl 2-[(2-hex-5-enoxyacetyl)-(3-methylbut-2-enyl)amino]-4-nitro-benzoate CAS Name: 2-[(2-hex-5-enoxy-1-oxoethyl)-(3-methylbut-2-enyl)amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-hex-5-enoxyacetyl)-(3-methylbut-2-enyl)amino]-4-nitrobenzoate Traditional Name: 2-[(2-hex-5-enoxyacetyl)-(3-methylbut-2-enyl)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(CC=C(C)C)C(=O)COCCCCC=C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N(CC=C(C)C)C(=O)COCCCCC=C

InChI

InChI=1S/C22H30N2O6/c1-5-7-8-9-14-29-16-21(25)23(13-12-17(3)4)20-15-18(24(27)28)10-11-19(20)22(26)30-6-2/h5,10-12,15H,1,6-9,13-14,16H2,2-4H3