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

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-(3-oxidanylideneheptanoyloxy)phenyl] 3-oxidanylideneheptanoate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-3-nitro-2-(3-oxoheptanoyloxy)phenyl] 3-oxoheptanoate CAS Name: 3-oxoheptanoic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-(1,3-dioxoheptoxy)-3-nitrophenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitro-2-(3-oxoheptanoyloxy)phenyl] 3-oxoheptanoate Traditional Name: 3-ketoenanthic acid [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-(3-ketoheptanoyloxy)-3-nitro-phenyl] ester Formula: C28H35N3O9 MolecularWeight: 557.5922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O9/c1-5-9-11-21(32)16-25(34)39-24-15-19(13-20(18-29)28(36)30(7-3)8-4)14-23(31(37)38)27(24)40-26(35)17-22(33)12-10-6-2/h13-15H,5-12,16-17H2,1-4H3/b20-13+