3-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H17N3O6/c1-11-7-8-12(20(28)29-2)9-15(11)21-16(24)10-23-18(25)14-6-4-3-5-13(14)17(22-23)19(26)27/h3-9H,10H2,1-2H3,(H,21,24)(H,26,27)