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

Systemtic Name: methyl 5-azanyl-7-(3-nitrophenyl)-1-oxidanylidene-3H-2-benzofuran-4-carboxylate Openeye Name: methyl 5-amino-7-(3-nitrophenyl)-1-oxo-3H-isobenzofuran-4-carboxylate CAS Name: 5-amino-7-(3-nitrophenyl)-1-oxo-3H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-7-(3-nitrophenyl)-1-oxo-3H-2-benzofuran-4-carboxylate Traditional Name: 5-amino-1-keto-7-(3-nitrophenyl)phthalan-4-carboxylic acid methyl ester Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6/c1-23-15(19)14-11-7-24-16(20)13(11)10(6-12(14)17)8-3-2-4-9(5-8)18(21)22/h2-6H,7,17H2,1H3