3-[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H18ClN3O5/c1-10-8-15(16(29-3)9-14(10)21)22-18(25)11(2)24-19(26)13-7-5-4-6-12(13)17(23-24)20(27)28/h4-9,11H,1-3H3,(H,22,25)(H,27,28)