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

Systemtic Name: methyl 5-azanyl-7-(4-nitrophenyl)-1-oxidanylidene-6,7-dihydro-3H-2-benzofuran-4-carboxylate Openeye Name: methyl 5-amino-7-(4-nitrophenyl)-1-oxo-6,7-dihydro-3H-isobenzofuran-4-carboxylate CAS Name: 5-amino-7-(4-nitrophenyl)-1-oxo-6,7-dihydro-3H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-7-(4-nitrophenyl)-1-oxo-6,7-dihydro-3H-2-benzofuran-4-carboxylate Traditional Name: 5-amino-1-keto-7-(4-nitrophenyl)-6,7-dihydro-3H-isobenzofuran-4-carboxylic acid methyl ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-23-15(19)14-11-7-24-16(20)13(11)10(6-12(14)17)8-2-4-9(5-3-8)18(21)22/h2-5,10H,6-7,17H2,1H3