4-chloranyl-3-(2-methoxyethoxy)-7-nitro-isochromen-1-one

Systemtic Name: 4-chloranyl-3-(2-methoxyethoxy)-7-nitro-isochromen-1-one Openeye Name: 4-chloro-3-(2-methoxyethoxy)-7-nitro-isochromen-1-one CAS Name: 4-chloro-3-(2-methoxyethoxy)-7-nitro-2-benzopyran-1-one IUPAC Name: 4-chloro-3-(2-methoxyethoxy)-7-nitroisochromen-1-one Traditional Name: 4-chloro-3-(2-methoxyethoxy)-7-nitro-isocoumarin Formula: C12H10ClNO6 MolecularWeight: 299.6639

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)Cl

Isomeric SMILES

COCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)Cl

InChI

InChI=1S/C12H10ClNO6/c1-18-4-5-19-12-10(13)8-3-2-7(14(16)17)6-9(8)11(15)20-12/h2-3,6H,4-5H2,1H3