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

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] phenethyl carbonate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] phenethyl carbonate CAS Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] phenethyl ester IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] phenethyl carbonate Traditional Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] phenethyl ester Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OC(=O)OCCC2=CC=CC=C2)O)[N+](=O)[O-])C#N

Isomeric SMILES

CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OC(=O)OCCC2=CC=CC=C2)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C23H23N3O7/c1-3-25(4-2)22(28)18(15-24)12-17-13-19(26(30)31)21(27)20(14-17)33-23(29)32-11-10-16-8-6-5-7-9-16/h5-9,12-14,27H,3-4,10-11H2,1-2H3/b18-12+