4-[(Z)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(benzofuro[3,2-d]pyrimidin-4-ylhydrazono)methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-(4-benzofuro[3,2-d]pyrimidinylhydrazinylidene)methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-(benzofuro[3,2-d]pyrimidin-4-ylhydrazono)methyl]-2-nitro-phenolate Formula: C17H10N5O4- MolecularWeight: 348.2924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NN=CC4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)N/N=C\C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O4/c23-13-6-5-10(7-12(13)22(24)25)8-20-21-17-16-15(18-9-19-17)11-3-1-2-4-14(11)26-16/h1-9,23H,(H,18,19,21)/p-1/b20-8-