(3S)-3-[1-nitro-2-[(phenylmethyl)amino]ethenyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[1-nitro-2-[(phenylmethyl)amino]ethenyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-(benzylamino)-1-nitro-vinyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[1-nitro-2-[(phenylmethyl)amino]ethenyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-(benzylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-(benzylamino)-1-nitro-vinyl]phthalide Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CNC=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/t16-/m0/s1