(2Z)-7-[(dipropylazaniumyl)methyl]-2-[(2-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(2-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dipropylammonio)methyl]-2-(o-tolylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(2-methylphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-3-keto-2-(2-methylbenzylidene)coumaran-6-olate Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3C)C2=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CC=C3C)/C2=O)[O-]

InChI

InChI=1S/C23H27NO3/c1-4-12-24(13-5-2)15-19-20(25)11-10-18-22(26)21(27-23(18)19)14-17-9-7-6-8-16(17)3/h6-11,14,25H,4-5,12-13,15H2,1-3H3/b21-14-