5-azanyl-4-ethanoyl-7-(3-nitrophenyl)-3H-2-benzofuran-1-one

Systemtic Name: 5-azanyl-4-ethanoyl-7-(3-nitrophenyl)-3H-2-benzofuran-1-one Openeye Name: 4-acetyl-5-amino-7-(3-nitrophenyl)-3H-isobenzofuran-1-one CAS Name: 4-acetyl-5-amino-7-(3-nitrophenyl)-3H-isobenzofuran-1-one IUPAC Name: 4-acetyl-5-amino-7-(3-nitrophenyl)-3H-2-benzofuran-1-one Traditional Name: 4-acetyl-5-amino-7-(3-nitrophenyl)phthalide Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C2=C1COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(=O)C1=C(C=C(C2=C1COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H12N2O5/c1-8(19)14-12-7-23-16(20)15(12)11(6-13(14)17)9-3-2-4-10(5-9)18(21)22/h2-6H,7,17H2,1H3