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

Systemtic Name: 1-[3-(diethylazaniumyl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 1-[3-(diethylammonio)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 1-[3-(diethylammonio)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 1-[3-(diethylazaniumyl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 1-[3-(diethylammonio)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C27H29N3O7 MolecularWeight: 507.53506

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O7/c1-4-28(5-2)13-8-14-29-23(17-9-6-11-19(15-17)30(34)35)22(25(32)27(29)33)24(31)21-16-18-10-7-12-20(36-3)26(18)37-21/h6-7,9-12,15-16,23,32H,4-5,8,13-14H2,1-3H3