methyl 3-[5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenoxy]carbonyloxy-2-methylidene-butanoate

Systemtic Name: methyl 3-[5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenoxy]carbonyloxy-2-methylidene-butanoate Openeye Name: methyl 3-[5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-2-hydroxy-3-nitro-phenoxy]carbonyloxy-2-methylene-butanoate CAS Name: 3-[[5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenoxy]-oxomethoxy]-2-methylenebutanoic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenoxy]carbonyloxy-2-methylidenebutanoate Traditional Name: 2-[1-[5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-hydroxy-3-nitro-phenoxy]carbonyloxyethyl]acrylic acid methyl ester Formula: C21H23N3O9 MolecularWeight: 461.42202

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OC(=O)OC(C)C(=C)C(=O)OC)O)[N+](=O)[O-])C#N

Isomeric SMILES

CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OC(=O)OC(C)C(=C)C(=O)OC)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H23N3O9/c1-6-23(7-2)19(26)15(11-22)8-14-9-16(24(29)30)18(25)17(10-14)33-21(28)32-13(4)12(3)20(27)31-5/h8-10,13,25H,3,6-7H2,1-2,4-5H3/b15-8+