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

Systemtic Name: 3-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H18N4O6/c1-11(25)21-12-7-8-16(30-2)15(9-12)22-17(26)10-24-19(27)14-6-4-3-5-13(14)18(23-24)20(28)29/h3-9H,10H2,1-2H3,(H,21,25)(H,22,26)(H,28,29)