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

Systemtic Name: (3S)-3-[(E)-2-[(3-chlorophenyl)amino]-1-nitro-ethenyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[(E)-2-(3-chloroanilino)-1-nitro-vinyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[(E)-2-(3-chloroanilino)-1-nitroethenyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[(E)-2-(3-chloroanilino)-1-nitroethenyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(E)-2-(3-chloroanilino)-1-nitro-vinyl]phthalide Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)C(=CNC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](OC2=O)/C(=C\NC3=CC(=CC=C3)Cl)/[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O4/c17-10-4-3-5-11(8-10)18-9-14(19(21)22)15-12-6-1-2-7-13(12)16(20)23-15/h1-9,15,18H/b14-9+/t15-/m0/s1