[5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] 2-ethylhexyl carbonate

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] 2-ethylhexyl carbonate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] 2-ethylhexyl carbonate CAS Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] 2-ethylhexyl ester IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] 2-ethylhexyl carbonate Traditional Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] 2-ethylhexyl ester Formula: C23H31N3O7 MolecularWeight: 461.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)N(CC)CC

Isomeric SMILES

CCCCC(CC)COC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C(\C#N)/C(=O)N(CC)CC

InChI

InChI=1S/C23H31N3O7/c1-5-9-10-16(6-2)15-32-23(29)33-20-13-17(12-19(21(20)27)26(30)31)11-18(14-24)22(28)25(7-3)8-4/h11-13,16,27H,5-10,15H2,1-4H3/b18-11+