ethyl 5-azanyl-7-(3-nitrophenyl)-1-oxidanylidene-6,7-dihydro-3H-2-benzofuran-4-carboxylate

Systemtic Name: ethyl 5-azanyl-7-(3-nitrophenyl)-1-oxidanylidene-6,7-dihydro-3H-2-benzofuran-4-carboxylate Openeye Name: ethyl 5-amino-7-(3-nitrophenyl)-1-oxo-6,7-dihydro-3H-isobenzofuran-4-carboxylate CAS Name: 5-amino-7-(3-nitrophenyl)-1-oxo-6,7-dihydro-3H-isobenzofuran-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-(3-nitrophenyl)-1-oxo-6,7-dihydro-3H-2-benzofuran-4-carboxylate Traditional Name: 5-amino-1-keto-7-(3-nitrophenyl)-6,7-dihydro-3H-isobenzofuran-4-carboxylic acid ethyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-2-24-17(21)15-12-8-25-16(20)14(12)11(7-13(15)18)9-4-3-5-10(6-9)19(22)23/h3-6,11H,2,7-8,18H2,1H3