[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-3-22(4-2)21(25)20(17-8-6-5-7-9-17)28-19(24)15-12-16-10-13-18(14-11-16)23(26)27/h5-15,20H,3-4H2,1-2H3/b15-12+/t20-/m0/s1