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

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-(3-oxidanylidenebutanoyloxy)phenyl] 3-oxidanylidenebutanoate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-3-nitro-2-(3-oxobutanoyloxy)phenyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-(1,3-dioxobutoxy)-3-nitrophenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitro-2-(3-oxobutanoyloxy)phenyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [2-acetoacetyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-3-nitro-phenyl] ester Formula: C22H23N3O9 MolecularWeight: 473.43272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O9/c1-5-24(6-2)22(30)16(12-23)9-15-10-17(25(31)32)21(34-20(29)8-14(4)27)18(11-15)33-19(28)7-13(3)26/h9-11H,5-8H2,1-4H3/b16-9+