1-[2-(diethylazaniumyl)ethyl]-2-(2-nitrophenyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate

Systemtic Name: 1-[2-(diethylazaniumyl)ethyl]-2-(2-nitrophenyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Openeye Name: 1-[2-(diethylammonio)ethyl]-2-(2-nitrophenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate CAS Name: 1-[2-(diethylammonio)ethyl]-2-(2-nitrophenyl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-4-olate IUPAC Name: 1-[2-(diethylazaniumyl)ethyl]-2-(2-nitrophenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Traditional Name: 1-[2-(diethylammonio)ethyl]-2-keto-5-(2-nitrophenyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O5/c1-3-26(4-2)16-17-27-23(19-12-8-9-13-20(19)28(32)33)22(24(30)25(27)31)21(29)15-14-18-10-6-5-7-11-18/h5-15,23,30H,3-4,16-17H2,1-2H3/b15-14+