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

Systemtic Name: 3-[(4-methyl-3-nitro-phenyl)amino]-3H-2-benzofuran-1-one Openeye Name: 3-(4-methyl-3-nitro-anilino)-3H-isobenzofuran-1-one CAS Name: 3-(4-methyl-3-nitroanilino)-3H-isobenzofuran-1-one IUPAC Name: 3-(4-methyl-3-nitroanilino)-3H-2-benzofuran-1-one Traditional Name: 3-(4-methyl-3-nitro-anilino)phthalide Formula: C15H12N2O4 MolecularWeight: 284.26678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O4/c1-9-6-7-10(8-13(9)17(19)20)16-14-11-4-2-3-5-12(11)15(18)21-14/h2-8,14,16H,1H3