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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(C2=C(C1)COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CNC1=C(C(C2=C(C1)COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

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