3-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(7-methyl-2-oxo-chromen-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(7-methyl-2-oxochromen-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(2-keto-7-methyl-chromen-4-yl)methyl]phthalazine-1-carboxylic acid Formula: C20H14N2O5 MolecularWeight: 362.33556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H14N2O5/c1-11-6-7-13-12(9-17(23)27-16(13)8-11)10-22-19(24)15-5-3-2-4-14(15)18(21-22)20(25)26/h2-9H,10H2,1H3,(H,25,26)