3-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OCC

InChI

InChI=1S/C21H21N3O6/c1-3-29-16-10-9-13(11-17(16)30-4-2)22-18(25)12-24-20(26)15-8-6-5-7-14(15)19(23-24)21(27)28/h5-11H,3-4,12H2,1-2H3,(H,22,25)(H,27,28)