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

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] 2,2-dimethylpropanoate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c1-6-21(7-2)17(24)13(11-20)8-12-9-14(22(26)27)16(23)15(10-12)28-18(25)19(3,4)5/h8-10,23H,6-7H2,1-5H3/b13-8+