(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1/C=C/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

InChI

InChI=1S/C23H23NO4/c1-27-20-9-3-2-7-16(20)8-6-10-21-22(26)17-11-12-19(25)18(23(17)28-21)15-24-13-4-5-14-24/h2-3,6-12,25H,4-5,13-15H2,1H3/b8-6+,21-10-