4-[(E)-3-(5-bromanyl-1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-(5-bromanyl-1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(5-bromobenzofuran-2-yl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(5-bromo-2-benzofuranyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(5-bromo-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(5-bromobenzofuran-2-yl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H11BrNO6- MolecularWeight: 417.18704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C18H12BrNO6/c1-25-17-7-10(6-13(18(17)22)20(23)24)2-4-14(21)16-9-11-8-12(19)3-5-15(11)26-16/h2-9,22H,1H3/p-1/b4-2+