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

Systemtic Name: [(E)-2-nitro-2-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethenyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(E)-2-nitro-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]vinyl]ammonium CAS Name: [(E)-2-nitro-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]ethenyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(E)-2-nitro-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]ethenyl]azanium Traditional Name: benzyl-[(E)-2-[(1S)-3-ketophthalan-1-yl]-2-nitro-vinyl]ammonium Formula: C17H15N2O4+ MolecularWeight: 311.312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C=C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]/C=C(\[C@@H]2C3=CC=CC=C3C(=O)O2)/[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4/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/h1-9,11,16,18H,10H2/p+1/b15-11+/t16-/m0/s1