3-butyl-N'-[(E)-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: 3-butyl-N'-[(E)-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: 3-butyl-N'-[(E)-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-4-oxo-phthalazine-1-carbohydrazide CAS Name: 3-butyl-N'-[(E)-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: 3-butyl-N'-[(E)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4-oxophthalazine-1-carbohydrazide Traditional Name: 3-butyl-4-keto-N'-[(E)-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]phthalazine-1-carbohydrazide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC=C3C=C(C(=O)C(=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN/C=C/3\C=C(C(=O)C(=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c1-3-4-9-25-21(29)15-8-6-5-7-14(15)18(24-25)20(28)23-22-12-13-10-16(26(30)31)19(27)17(11-13)32-2/h5-8,10-12,22H,3-4,9H2,1-2H3,(H,23,28)/b13-12+