3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-6-nitro-chromen-4-one

Systemtic Name: 3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-6-nitro-chromen-4-one Openeye Name: 3-[(E)-2-(1H-benzimidazol-2-yl)vinyl]-6-nitro-chromen-4-one CAS Name: 3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-6-nitro-1-benzopyran-4-one IUPAC Name: 3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-6-nitrochromen-4-one Traditional Name: 3-[(E)-2-(1H-benzimidazol-2-yl)vinyl]-6-nitro-chromone Formula: C18H11N3O4 MolecularWeight: 333.29764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C=CC3=COC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C=C/C3=COC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O4/c22-18-11(5-8-17-19-14-3-1-2-4-15(14)20-17)10-25-16-7-6-12(21(23)24)9-13(16)18/h1-10H,(H,19,20)/b8-5+