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

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] pentan-3-yl carbonate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] 1-ethylpropyl carbonate CAS Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] pentan-3-yl ester IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] pentan-3-yl carbonate Traditional Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] 1-ethylpropyl ester Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)N(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7/c1-5-15(6-2)29-20(26)30-17-11-13(10-16(18(17)24)23(27)28)9-14(12-21)19(25)22(7-3)8-4/h9-11,15,24H,5-8H2,1-4H3/b14-9+