(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N5O4/c1-2-3-12-25-19(27)15-9-5-4-8-14(15)18(23-25)21(29)30-13-26-20(28)16-10-6-7-11-17(16)22-24-26/h4-11H,2-3,12-13H2,1H3