2-(4-bromophenyl)-1-[3-(diethylazaniumyl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(4-bromophenyl)-1-[3-(diethylazaniumyl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-bromophenyl)-1-[3-(diethylammonio)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-bromophenyl)-1-[3-(diethylammonio)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-bromophenyl)-1-[3-(diethylazaniumyl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-bromophenyl)-1-[3-(diethylammonio)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-3-olate Formula: C27H29BrN2O5 MolecularWeight: 541.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H29BrN2O5/c1-4-29(5-2)14-7-15-30-23(17-10-12-19(28)13-11-17)22(25(32)27(30)33)24(31)21-16-18-8-6-9-20(34-3)26(18)35-21/h6,8-13,16,23,32H,4-5,7,14-15H2,1-3H3