(3S)-3-[(2-bromanyl-4-nitro-phenyl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[(2-bromanyl-4-nitro-phenyl)amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-(2-bromo-4-nitro-anilino)-3H-isobenzofuran-1-one CAS Name: (3S)-3-(2-bromo-4-nitroanilino)-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-(2-bromo-4-nitroanilino)-3H-2-benzofuran-1-one Traditional Name: (3S)-3-(2-bromo-4-nitro-anilino)phthalide Formula: C14H9BrN2O4 MolecularWeight: 349.13626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN2O4/c15-11-7-8(17(19)20)5-6-12(11)16-13-9-3-1-2-4-10(9)14(18)21-13/h1-7,13,16H/t13-/m0/s1