3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[ethyl(2-methylallyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CCN(CC(=C)C)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C17H19N3O4/c1-4-19(9-11(2)3)14(21)10-20-16(22)13-8-6-5-7-12(13)15(18-20)17(23)24/h5-8H,2,4,9-10H2,1,3H3,(H,23,24)