(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H17N3O6/c1-12(26)23-14-7-8-15-13(9-19(27)31-18(15)10-14)11-30-22(29)20-16-5-3-4-6-17(16)21(28)25(2)24-20/h3-10H,11H2,1-2H3,(H,23,26)