4-[(E)-(6-methoxy-4-oxidanylidene-chromen-3-ylidene)methyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-(6-methoxy-4-oxidanylidene-chromen-3-ylidene)methyl]-2-nitro-phenolate Openeye Name: 4-[(E)-(6-methoxy-4-oxo-chroman-3-ylidene)methyl]-2-nitro-phenolate CAS Name: 4-[(E)-(6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]-2-nitrophenolate IUPAC Name: 4-[(E)-(6-methoxy-4-oxochromen-3-ylidene)methyl]-2-nitrophenolate Traditional Name: 4-[(E)-(4-keto-6-methoxy-chroman-3-ylidene)methyl]-2-nitro-phenolate Formula: C17H12NO6- MolecularWeight: 326.28028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

COC1=CC2=C(C=C1)OC/C(=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/C2=O

InChI

InChI=1S/C17H13NO6/c1-23-12-3-5-16-13(8-12)17(20)11(9-24-16)6-10-2-4-15(19)14(7-10)18(21)22/h2-8,19H,9H2,1H3/p-1/b11-6+