3-[(2,4-dinitrophenyl)amino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[(2,4-dinitrophenyl)amino]-3H-2-benzofuran-1-one Openeye Name: 3-(2,4-dinitroanilino)-3H-isobenzofuran-1-one CAS Name: 3-(2,4-dinitroanilino)-3H-isobenzofuran-1-one IUPAC Name: 3-(2,4-dinitroanilino)-3H-2-benzofuran-1-one Traditional Name: 3-(2,4-dinitroanilino)phthalide Formula: C14H9N3O6 MolecularWeight: 315.23776

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O6/c18-14-10-4-2-1-3-9(10)13(23-14)15-11-6-5-8(16(19)20)7-12(11)17(21)22/h1-7,13,15H