[2-butanoyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-phenyl] butanoate

Systemtic Name: [2-butanoyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-phenyl] butanoate Openeye Name: [2-butanoyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-3-nitro-phenyl] butanoate CAS Name: butanoic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitro-2-(1-oxobutoxy)phenyl] ester IUPAC Name: [2-butanoyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitrophenyl] butanoate Traditional Name: butyric acid [2-butyryloxy-5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-3-nitro-phenyl] ester Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=CC(=C1OC(=O)CCC)[N+](=O)[O-])C=C(C#N)C(=O)N(CC)CC

Isomeric SMILES

CCCC(=O)OC1=CC(=CC(=C1OC(=O)CCC)[N+](=O)[O-])/C=C(\C#N)/C(=O)N(CC)CC

InChI

InChI=1S/C22H27N3O7/c1-5-9-19(26)31-18-13-15(11-16(14-23)22(28)24(7-3)8-4)12-17(25(29)30)21(18)32-20(27)10-6-2/h11-13H,5-10H2,1-4H3/b16-11+