(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H19ClN2O5 MolecularWeight: 486.90316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H19ClN2O5/c1-16-11-23-21(13-22(16)28)18(12-24(31)35-23)15-34-27(33)25-19-9-5-6-10-20(19)26(32)30(29-25)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3