[2-nitro-2-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethenyl]-(phenylmethyl)azanide

Systemtic Name: [2-nitro-2-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethenyl]-(phenylmethyl)azanide Openeye Name: benzyl-[2-nitro-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]vinyl]azanide CAS Name: [2-nitro-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]ethenyl]-(phenylmethyl)azanide IUPAC Name: benzyl-[2-nitro-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]ethenyl]azanide Traditional Name: benzyl-[2-[(1S)-3-ketophthalan-1-yl]-2-nitro-vinyl]azanide Formula: C17H13N2O4- MolecularWeight: 309.29612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N-]C=C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N-]C=C([C@@H]2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N2O4/c20-17-14-9-5-4-8-13(14)16(23-17)15(19(21)22)11-18-10-12-6-2-1-3-7-12/h1-9,11,16H,10H2/q-1/t16-/m0/s1