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

Systemtic Name: butan-2-yl [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] carbonate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] sec-butyl carbonate CAS Name: carbonic acid butan-2-yl [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] ester IUPAC Name: butan-2-yl [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] carbonate Traditional Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] sec-butyl ester Formula: C19H23N3O7 MolecularWeight: 405.40182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O7/c1-5-12(4)28-19(25)29-16-10-13(9-15(17(16)23)22(26)27)8-14(11-20)18(24)21(6-2)7-3/h8-10,12,23H,5-7H2,1-4H3/b14-8+